Hmdb loader

Showing metabocard for Erythromycin (HMDB0014344)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (4)transporters (4) Show 8 proteinsXML
enzymes (4)transporters (4) Show 8 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:49 UTC
Update Date2022-03-07 02:51:35 UTC
HMDB IDHMDB0014344
Secondary Accession Numbers
  • HMDB14344
Metabolite Identification
Common NameErythromycin
DescriptionErythromycin belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. Thus, erythromycin is considered to be a macrolide lipid molecule. Erythromycin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Erythromycin is a macrolide antibiotic produced by Streptomyces erythreus. It inhibits bacterial protein synthesis by binding to bacterial 50S ribosomal subunits; binding inhibits peptidyl transferase activity and interferes with the translocation of amino acids during the translation and assembly of proteins. Erythromycin may be bacteriostatic or bactericidal depending on the organism and drug concentration.
Structure
Data?1583952325
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0014344 (Erythromycin)


  Mrv1652303112019362D          

 53 55  0  0  0  0            999 V2000
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M  END
Download

3D MOL for HMDB0014344 (Erythromycin)

HMDB0014344
     RDKit          3D
Erythromycin
118120  0  0  0  0  0  0  0  0999 V2000
   -5.8136   -1.9846   -3.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
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 50115  1  0
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 51118  1  0
M  END
Download

3D SDF for HMDB0014344 (Erythromycin)


  Mrv1652303112019362D          

 53 55  0  0  0  0            999 V2000
10015.242110014.9257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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10015.955710016.1653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10013.101410015.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.815410014.0939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10015.339010016.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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10016.669410014.1021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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10013.823610012.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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10011.395110016.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.867310016.0271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10015.250310013.2817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
10015.242110015.7507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
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  5 12  1  0  0  0  0
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  7  3  1  0  0  0  0
  7 15  1  0  0  0  0
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 14  6  1  0  0  0  0
  6  3  1  0  0  0  0
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 35 42  1  0  0  0  0
 42 36  1  0  0  0  0
 36 30  1  0  0  0  0
 30 22  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0014344

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C

> <INCHI_IDENTIFIER>
InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1

> <INCHI_KEY>
ULGZDMOVFRHVEP-RWJQBGPGSA-N

> <FORMULA>
C37H67NO13

> <MOLECULAR_WEIGHT>
733.9268

> <EXACT_MASS>
733.461241235

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
118

> <JCHEM_AVERAGE_POLARIZABILITY>
78.51174002042384

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione

> <ALOGPS_LOGP>
2.37

> <JCHEM_LOGP>
2.596388847333333

> <ALOGPS_LOGS>
-3.20

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.90862050588721

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.438841177083088

> <JCHEM_PKA_STRONGEST_BASIC>
8.380974796874835

> <JCHEM_POLAR_SURFACE_AREA>
193.91

> <JCHEM_REFRACTIVITY>
186.03709999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.59e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
erythromycin

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0014344 (Erythromycin)

HMDB0014344
     RDKit          3D
Erythromycin
118120  0  0  0  0  0  0  0  0999 V2000
   -5.8136   -1.9846   -3.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8410   -1.2553   -3.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9152   -2.1412   -2.3540 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9994   -1.5195   -1.5521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5837   -0.2839   -1.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0270    0.4629   -0.3016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5304    0.3768   -2.0394 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3464   -0.0923   -3.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2270    0.6540   -1.2978 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4133    1.5438   -0.2639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0859    2.8475   -0.4842 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2637    3.7892   -0.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1405    4.9394    0.4279 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3411    6.0715   -0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3801    5.4943    0.7325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3411    6.5494    1.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4624    4.5748    1.7007 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4116    4.1065    2.6484 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6191    3.5630    1.6244 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8255    3.9489    2.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9109    3.2646    0.3363 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6679   -0.4291   -0.9578 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5947   -1.6708   -1.8557 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716   -0.7838    0.4191 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8888    0.2366    0.9954 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2096   -0.0624    1.0649 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5514   -0.2068    2.4337 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8273   -0.7037    2.5850 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5303    0.1722    3.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091   -0.8645    1.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4892    0.2627    0.3572 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5291    1.2497    0.4899 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8477    0.7060    0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3330    2.3012   -0.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1438    0.9837    0.5435 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.1626   -2.1797    2.2666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9371   -2.0659    1.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0641   -3.3808    0.7870 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0431   -4.3574    1.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3151   -4.0311    1.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1660   -4.6080    2.3870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6264   -4.0567    0.6829 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3653   -5.2792    1.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7315   -4.1098   -0.7921 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1935   -5.3886   -1.2053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6816   -3.1014   -1.4167 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4436   -2.3048   -0.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6309   -3.7248   -2.2283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4219   -2.9127   -4.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7784   -2.1004   -3.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1131   -1.3653   -4.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2089   -0.6282   -3.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3580   -0.5044   -2.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3703   -2.7745   -3.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9545    1.4376   -2.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8602   -1.0355   -3.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7455    0.6303   -4.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483   -0.1191   -3.7165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2279    1.3310   -2.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3447    2.8627   -1.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3627    4.2426   -1.5491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    3.3066   -0.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    5.6953   -0.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0994    6.8472    0.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9740    6.4993   -1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9173    6.3657    2.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9184    7.4917    1.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4210    6.8244    1.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0200    5.4794    2.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8981    4.0821    3.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2522    2.6017    2.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575    5.0604    2.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7615    3.4922    2.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6262    3.8498    3.5486 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6993   -0.0564   -1.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0178   -2.4999   -1.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3829   -1.9907   -2.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2381   -1.6540   -2.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8885   -1.5756    0.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4672   -1.0447    0.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7309   -1.7146    3.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5820   -0.1586    3.7222 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0415   -0.0346    4.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5060    1.2291    3.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3109   -1.8335    0.8526 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6849   -1.0324    1.6407 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4840   -0.1212   -0.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3231    0.3086    1.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4926    1.5528   -0.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8543   -0.0245   -0.6008 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4901    2.9674   -0.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2776    2.8565   -0.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1150    1.7811   -1.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2840    1.8225    1.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9267    0.8158   -1.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8036    0.4528    2.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8958    0.3944    2.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -0.6615    3.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170   -2.4843    1.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1606   -2.3136    2.5633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8494   -1.4749    1.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2597   -3.2070   -0.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3832   -5.3794    0.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9254   -4.2569    0.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2441   -4.3868    2.1282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1993   -3.1903    1.1345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9612   -6.1531    0.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4462   -5.1910    1.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0126   -5.4952    2.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7744   -4.0119   -1.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1203   -5.5353   -0.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8589   -1.5544    0.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0110   -3.0146    0.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2347   -1.7388   -0.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1640   -4.5165   -2.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
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  9 10  1  0
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 51118  1  0
M  END
Download

PDB for HMDB0014344 (Erythromycin)

HEADER    PROTEIN                                 11-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-MAR-20         0                                  
HETATM    1  O   UNK     0    8695.1198694.528   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0    8693.7858695.302   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8696.4518695.302   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8692.4558694.524   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8693.7858696.853   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8697.7838694.528   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0    8696.4518696.842   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0    8691.1238695.294   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8692.4558692.975   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8695.3008696.584   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0    8694.3108698.297   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0    8692.4558697.627   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0    8697.7838692.991   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0    8699.1158695.302   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8697.7838697.608   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0    8693.7988692.227   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0    8691.1278692.196   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8692.4558699.179   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0    8700.4478694.528   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0    8699.1158696.842   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8697.7838699.148   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8693.7988690.688   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8691.1278690.657   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8689.7978692.975   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8693.7888699.949   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8691.1278699.953   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8701.7838695.302   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0    8700.4478692.991   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0    8692.4718689.924   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0    8695.1348689.920   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0    8688.4618692.204   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0    8689.7978694.524   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0    8691.1278701.493   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0    8689.7978699.179   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0    8692.4678688.381   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0    8695.1348688.385   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0    8688.4658695.302   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0    8688.4618699.949   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0    8689.7978697.627   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0    8691.1348689.149   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0    8691.1508687.586   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0    8693.7988687.609   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0    8696.4668687.613   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0    8687.1328694.528   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0    8688.4658696.853   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0    8691.1308696.857   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0    8689.7408688.343   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0    8693.7988686.070   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0    8685.7998695.302   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0    8687.9388698.297   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0    8686.9528696.584   0.000  0.00  0.00           O+0
HETATM   52  H   UNK     0    8695.1348691.459   0.000  0.00  0.00           H+0
HETATM   53  H   UNK     0    8695.1198696.068   0.000  0.00  0.00           H+0
CONECT    1    2    3                                                       
CONECT    2    1    4    5                                                  
CONECT    3    1   53    7    6                                             
CONECT    4    8    9    2                                                  
CONECT    5   10   11    2   12                                             
CONECT    6   13   14    3                                                  
CONECT    7    3   15                                                       
CONECT    8    4                                                            
CONECT    9   16   17    4                                                  
CONECT   10    5                                                            
CONECT   11    5                                                            
CONECT   12    5   18                                                       
CONECT   13    6                                                            
CONECT   14   19   20    6                                                  
CONECT   15   21    7   20                                                  
CONECT   16    9   22                                                       
CONECT   17   23   24    9                                                  
CONECT   18   25   12   26                                                  
CONECT   19   14   27   28                                                  
CONECT   20   15   14                                                       
CONECT   21   15                                                            
CONECT   22   16   52   29   30                                             
CONECT   23   17                                                            
CONECT   24   31   32   17                                                  
CONECT   25   18                                                            
CONECT   26   33   18   34                                                  
CONECT   27   19                                                            
CONECT   28   19                                                            
CONECT   29   22   35                                                       
CONECT   30   36   22                                                       
CONECT   31   24                                                            
CONECT   32   37   24                                                       
CONECT   33   26                                                            
CONECT   34   38   39   26                                                  
CONECT   35   40   41   29   42                                             
CONECT   36   43   42   30                                                  
CONECT   37   44   45   32                                                  
CONECT   38   34                                                            
CONECT   39   46   34   45                                                  
CONECT   40   35   47                                                       
CONECT   41   35                                                            
CONECT   42   48   35   36                                                  
CONECT   43   36                                                            
CONECT   44   37   49                                                       
CONECT   45   50   51   39   37                                             
CONECT   46   39                                                            
CONECT   47   40                                                            
CONECT   48   42                                                            
CONECT   49   44                                                            
CONECT   50   45                                                            
CONECT   51   45                                                            
CONECT   52   22                                                            
CONECT   53    3                                                            
MASTER        0    0    0    0    0    0    0    0   53    0  110    0
END
Download

3D PDB for HMDB0014344 (Erythromycin)

COMPND    HMDB0014344
HETATM    1  C1  UNL     1      -5.814  -1.985  -3.974  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.841  -1.255  -3.109  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.915  -2.141  -2.354  1.00  0.00           C  
HETATM    4  O1  UNL     1      -2.999  -1.519  -1.552  1.00  0.00           O  
HETATM    5  C4  UNL     1      -2.584  -0.284  -1.261  1.00  0.00           C  
HETATM    6  O2  UNL     1      -3.027   0.463  -0.302  1.00  0.00           O  
HETATM    7  C5  UNL     1      -1.530   0.377  -2.039  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.346  -0.092  -3.441  1.00  0.00           C  
HETATM    9  C7  UNL     1      -0.227   0.654  -1.298  1.00  0.00           C  
HETATM   10  O3  UNL     1      -0.413   1.544  -0.264  1.00  0.00           O  
HETATM   11  C8  UNL     1      -0.086   2.848  -0.484  1.00  0.00           C  
HETATM   12  C9  UNL     1      -1.264   3.789  -0.544  1.00  0.00           C  
HETATM   13  C10 UNL     1      -1.140   4.939   0.428  1.00  0.00           C  
HETATM   14  C11 UNL     1      -0.341   6.072  -0.208  1.00  0.00           C  
HETATM   15  O4  UNL     1      -2.380   5.494   0.733  1.00  0.00           O  
HETATM   16  C12 UNL     1      -2.341   6.549   1.596  1.00  0.00           C  
HETATM   17  C13 UNL     1      -0.462   4.575   1.701  1.00  0.00           C  
HETATM   18  O5  UNL     1      -1.412   4.107   2.648  1.00  0.00           O  
HETATM   19  C14 UNL     1       0.619   3.563   1.624  1.00  0.00           C  
HETATM   20  C15 UNL     1       1.826   3.949   2.454  1.00  0.00           C  
HETATM   21  O6  UNL     1       0.911   3.265   0.336  1.00  0.00           O  
HETATM   22  C16 UNL     1       0.668  -0.429  -0.958  1.00  0.00           C  
HETATM   23  C17 UNL     1       0.595  -1.671  -1.856  1.00  0.00           C  
HETATM   24  C18 UNL     1       1.072  -0.784   0.419  1.00  0.00           C  
HETATM   25  O7  UNL     1       1.889   0.237   0.995  1.00  0.00           O  
HETATM   26  C19 UNL     1       3.210  -0.062   1.065  1.00  0.00           C  
HETATM   27  O8  UNL     1       3.551  -0.207   2.434  1.00  0.00           O  
HETATM   28  C20 UNL     1       4.827  -0.704   2.585  1.00  0.00           C  
HETATM   29  C21 UNL     1       5.530   0.172   3.618  1.00  0.00           C  
HETATM   30  C22 UNL     1       5.609  -0.865   1.334  1.00  0.00           C  
HETATM   31  C23 UNL     1       5.489   0.263   0.357  1.00  0.00           C  
HETATM   32  N1  UNL     1       6.529   1.250   0.490  1.00  0.00           N  
HETATM   33  C24 UNL     1       7.848   0.706   0.233  1.00  0.00           C  
HETATM   34  C25 UNL     1       6.333   2.301  -0.499  1.00  0.00           C  
HETATM   35  C26 UNL     1       4.144   0.984   0.544  1.00  0.00           C  
HETATM   36  O9  UNL     1       3.743   1.479  -0.662  1.00  0.00           O  
HETATM   37  C27 UNL     1       0.300  -1.318   1.489  1.00  0.00           C  
HETATM   38  C28 UNL     1       0.018  -0.209   2.541  1.00  0.00           C  
HETATM   39  O10 UNL     1       1.163  -2.180   2.267  1.00  0.00           O  
HETATM   40  C29 UNL     1      -0.937  -2.066   1.460  1.00  0.00           C  
HETATM   41  C30 UNL     1      -1.064  -3.381   0.787  1.00  0.00           C  
HETATM   42  C31 UNL     1       0.043  -4.357   1.039  1.00  0.00           C  
HETATM   43  C32 UNL     1      -2.315  -4.031   1.298  1.00  0.00           C  
HETATM   44  O11 UNL     1      -2.166  -4.608   2.387  1.00  0.00           O  
HETATM   45  C33 UNL     1      -3.626  -4.057   0.683  1.00  0.00           C  
HETATM   46  C34 UNL     1      -4.365  -5.279   1.252  1.00  0.00           C  
HETATM   47  C35 UNL     1      -3.732  -4.110  -0.792  1.00  0.00           C  
HETATM   48  O12 UNL     1      -4.193  -5.389  -1.205  1.00  0.00           O  
HETATM   49  C36 UNL     1      -4.682  -3.101  -1.417  1.00  0.00           C  
HETATM   50  C37 UNL     1      -5.444  -2.305  -0.394  1.00  0.00           C  
HETATM   51  O13 UNL     1      -5.631  -3.725  -2.228  1.00  0.00           O  
HETATM   52  H1  UNL     1      -5.422  -2.913  -4.402  1.00  0.00           H  
HETATM   53  H2  UNL     1      -6.778  -2.100  -3.426  1.00  0.00           H  
HETATM   54  H3  UNL     1      -6.113  -1.365  -4.878  1.00  0.00           H  
HETATM   55  H4  UNL     1      -4.209  -0.628  -3.798  1.00  0.00           H  
HETATM   56  H5  UNL     1      -5.358  -0.504  -2.473  1.00  0.00           H  
HETATM   57  H6  UNL     1      -3.370  -2.775  -3.105  1.00  0.00           H  
HETATM   58  H7  UNL     1      -1.955   1.438  -2.181  1.00  0.00           H  
HETATM   59  H8  UNL     1      -1.860  -1.036  -3.705  1.00  0.00           H  
HETATM   60  H9  UNL     1      -1.745   0.630  -4.224  1.00  0.00           H  
HETATM   61  H10 UNL     1      -0.248  -0.119  -3.716  1.00  0.00           H  
HETATM   62  H11 UNL     1       0.228   1.331  -2.109  1.00  0.00           H  
HETATM   63  H12 UNL     1       0.345   2.863  -1.527  1.00  0.00           H  
HETATM   64  H13 UNL     1      -1.363   4.243  -1.549  1.00  0.00           H  
HETATM   65  H14 UNL     1      -2.242   3.307  -0.351  1.00  0.00           H  
HETATM   66  H15 UNL     1       0.624   5.695  -0.608  1.00  0.00           H  
HETATM   67  H16 UNL     1      -0.099   6.847   0.542  1.00  0.00           H  
HETATM   68  H17 UNL     1      -0.974   6.499  -1.007  1.00  0.00           H  
HETATM   69  H18 UNL     1      -1.917   6.366   2.588  1.00  0.00           H  
HETATM   70  H19 UNL     1      -1.918   7.492   1.160  1.00  0.00           H  
HETATM   71  H20 UNL     1      -3.421   6.824   1.797  1.00  0.00           H  
HETATM   72  H21 UNL     1      -0.020   5.479   2.220  1.00  0.00           H  
HETATM   73  H22 UNL     1      -0.898   4.082   3.517  1.00  0.00           H  
HETATM   74  H23 UNL     1       0.252   2.602   2.095  1.00  0.00           H  
HETATM   75  H24 UNL     1       1.957   5.060   2.298  1.00  0.00           H  
HETATM   76  H25 UNL     1       2.761   3.492   2.141  1.00  0.00           H  
HETATM   77  H26 UNL     1       1.626   3.850   3.549  1.00  0.00           H  
HETATM   78  H27 UNL     1       1.699  -0.056  -1.356  1.00  0.00           H  
HETATM   79  H28 UNL     1       1.018  -2.500  -1.207  1.00  0.00           H  
HETATM   80  H29 UNL     1      -0.383  -1.991  -2.132  1.00  0.00           H  
HETATM   81  H30 UNL     1       1.238  -1.654  -2.728  1.00  0.00           H  
HETATM   82  H31 UNL     1       1.889  -1.576   0.183  1.00  0.00           H  
HETATM   83  H32 UNL     1       3.467  -1.045   0.574  1.00  0.00           H  
HETATM   84  H33 UNL     1       4.731  -1.715   3.067  1.00  0.00           H  
HETATM   85  H34 UNL     1       6.582  -0.159   3.722  1.00  0.00           H  
HETATM   86  H35 UNL     1       5.042  -0.035   4.594  1.00  0.00           H  
HETATM   87  H36 UNL     1       5.506   1.229   3.342  1.00  0.00           H  
HETATM   88  H37 UNL     1       5.311  -1.833   0.853  1.00  0.00           H  
HETATM   89  H38 UNL     1       6.685  -1.032   1.641  1.00  0.00           H  
HETATM   90  H39 UNL     1       5.484  -0.121  -0.680  1.00  0.00           H  
HETATM   91  H40 UNL     1       8.323   0.309   1.162  1.00  0.00           H  
HETATM   92  H41 UNL     1       8.493   1.553  -0.081  1.00  0.00           H  
HETATM   93  H42 UNL     1       7.854  -0.024  -0.601  1.00  0.00           H  
HETATM   94  H43 UNL     1       5.490   2.967  -0.270  1.00  0.00           H  
HETATM   95  H44 UNL     1       7.278   2.856  -0.689  1.00  0.00           H  
HETATM   96  H45 UNL     1       6.115   1.781  -1.467  1.00  0.00           H  
HETATM   97  H46 UNL     1       4.284   1.822   1.270  1.00  0.00           H  
HETATM   98  H47 UNL     1       3.927   0.816  -1.378  1.00  0.00           H  
HETATM   99  H48 UNL     1      -0.804   0.453   2.222  1.00  0.00           H  
HETATM  100  H49 UNL     1       0.896   0.394   2.735  1.00  0.00           H  
HETATM  101  H50 UNL     1      -0.294  -0.661   3.503  1.00  0.00           H  
HETATM  102  H51 UNL     1       1.917  -2.484   1.693  1.00  0.00           H  
HETATM  103  H52 UNL     1      -1.161  -2.314   2.563  1.00  0.00           H  
HETATM  104  H53 UNL     1      -1.849  -1.475   1.211  1.00  0.00           H  
HETATM  105  H54 UNL     1      -1.260  -3.207  -0.283  1.00  0.00           H  
HETATM  106  H55 UNL     1      -0.383  -5.379   0.803  1.00  0.00           H  
HETATM  107  H56 UNL     1       0.925  -4.257   0.415  1.00  0.00           H  
HETATM  108  H57 UNL     1       0.244  -4.387   2.128  1.00  0.00           H  
HETATM  109  H58 UNL     1      -4.199  -3.190   1.135  1.00  0.00           H  
HETATM  110  H59 UNL     1      -3.961  -6.153   0.662  1.00  0.00           H  
HETATM  111  H60 UNL     1      -5.446  -5.191   1.204  1.00  0.00           H  
HETATM  112  H61 UNL     1      -4.013  -5.495   2.304  1.00  0.00           H  
HETATM  113  H62 UNL     1      -2.774  -4.012  -1.348  1.00  0.00           H  
HETATM  114  H63 UNL     1      -5.120  -5.535  -0.888  1.00  0.00           H  
HETATM  115  H64 UNL     1      -4.859  -1.554   0.130  1.00  0.00           H  
HETATM  116  H65 UNL     1      -6.011  -3.015   0.234  1.00  0.00           H  
HETATM  117  H66 UNL     1      -6.235  -1.739  -0.972  1.00  0.00           H  
HETATM  118  H67 UNL     1      -5.164  -4.517  -2.650  1.00  0.00           H  
CONECT    1    2   52   53   54
CONECT    2    3   55   56
CONECT    3    4   49   57
CONECT    4    5
CONECT    5    6    6    7
CONECT    7    8    9   58
CONECT    8   59   60   61
CONECT    9   10   22   62
CONECT   10   11
CONECT   11   12   21   63
CONECT   12   13   64   65
CONECT   13   14   15   17
CONECT   14   66   67   68
CONECT   15   16
CONECT   16   69   70   71
CONECT   17   18   19   72
CONECT   18   73
CONECT   19   20   21   74
CONECT   20   75   76   77
CONECT   22   23   24   78
CONECT   23   79   80   81
CONECT   24   25   37   82
CONECT   25   26
CONECT   26   27   35   83
CONECT   27   28
CONECT   28   29   30   84
CONECT   29   85   86   87
CONECT   30   31   88   89
CONECT   31   32   35   90
CONECT   32   33   34
CONECT   33   91   92   93
CONECT   34   94   95   96
CONECT   35   36   97
CONECT   36   98
CONECT   37   38   39   40
CONECT   38   99  100  101
CONECT   39  102
CONECT   40   41  103  104
CONECT   41   42   43  105
CONECT   42  106  107  108
CONECT   43   44   44   45
CONECT   45   46   47  109
CONECT   46  110  111  112
CONECT   47   48   49  113
CONECT   48  114
CONECT   49   50   51
CONECT   50  115  116  117
CONECT   51  118
END
Download

SMILES for HMDB0014344 (Erythromycin)

[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C
Download

INCHI for HMDB0014344 (Erythromycin)

InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dioneChEBI
3''-O-DemethylerythromycinChEBI
AbomacetinChEBI
EritromicinaChEBI
ErthromycinChEBI
Erythromycin CChEBI
ErythromycineChEBI
ErythromycinumChEBI
Erythromycin aKegg
EMKegg
Akne-mycinKegg
ErycKegg
ErygelKegg
PceKegg
StaticinKegg
T-StatKegg
Erythrocin stearateHMDB
Erythromycin ethylsuccinateHMDB
Erythromycin glucoheptonateHMDB
Erythromycin lactobionateHMDB
Erythromycin oximeHMDB
Erythromycin stearateHMDB
ErymaxHMDB
C, ErythromycinHMDB
IlotycinHMDB
Phosphate, erythromycinHMDB
TStatHMDB
ErycetteHMDB
Erythromycin phosphateHMDB
Lactate, erythromycinHMDB
Erythromycin lactateHMDB
T StatHMDB
Chemical FormulaC37H67NO13
Average Molecular Weight733.9268
Monoisotopic Molecular Weight733.461241235
IUPAC Name(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione
Traditional Nameerythromycin
CAS Registry Number114-07-8
SMILES
[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C
InChI Identifier
InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
InChI KeyULGZDMOVFRHVEP-RWJQBGPGSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentAminoglycosides
Alternative Parents
Substituents
  • Aminoglycoside core
  • Macrolide
  • Glycosyl compound
  • O-glycosyl compound
  • Oxane
  • Monosaccharide
  • Tertiary alcohol
  • 1,2-aminoalcohol
  • Amino acid or derivatives
  • Carboxylic acid ester
  • Ketone
  • Cyclic ketone
  • Tertiary aliphatic amine
  • Tertiary amine
  • Secondary alcohol
  • Lactone
  • Acetal
  • Carboxylic acid derivative
  • Dialkyl ether
  • Ether
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Alcohol
  • Amine
  • Organopnictogen compound
  • Organic oxide
  • Organonitrogen compound
  • Carbonyl group
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point191 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.46 g/LNot Available
LogP3.06MCFARLAND,JW ET AL. (1997)
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.46 g/LALOGPS
logP2.37ALOGPS
logP2.6ChemAxon
logS-3.2ALOGPS
pKa (Strongest Acidic)12.44ChemAxon
pKa (Strongest Basic)8.38ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area193.91 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity186.04 m³·mol⁻¹ChemAxon
Polarizability78.51 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+252.99630932474
DeepCCS[M-H]-251.27230932474
DeepCCS[M-2H]-285.30430932474
DeepCCS[M+Na]+259.23830932474
AllCCS[M+H]+259.932859911
AllCCS[M+H-H2O]+259.432859911
AllCCS[M+NH4]+260.432859911
AllCCS[M+Na]+260.532859911
AllCCS[M-H]-257.732859911
AllCCS[M+Na-2H]-263.332859911
AllCCS[M+HCOO]-269.532859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.4.49 minutes32390414
Predicted by Siyang on May 30, 202212.263 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20223.44 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid187.8 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid2387.6 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid126.6 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid189.1 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid160.9 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid98.4 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid454.7 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid494.9 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)470.6 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid922.2 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid411.9 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1118.0 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid265.9 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid303.1 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate166.7 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA362.8 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water8.8 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Erythromycin[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C3309.8Standard polar33892256
Erythromycin[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C4319.0Standard non polar33892256
Erythromycin[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C4382.2Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (Non-derivatized) - 70eV, Positivesplash10-06di-9400002400-18cc27308908580ca1df2017-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Erythromycin GC-MS (TMS_2_17) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Erythromycin DI-ESI-Ion Trap , Positive-QTOFsplash10-00di-2901000023-e1b4c2a4d54a44d851b12017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Erythromycin DI-ESI-Hybrid FT , Positive-QTOFsplash10-00di-2901000023-e1b4c2a4d54a44d851b12017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Erythromycin LC-ESI-QTOF , positive-QTOFsplash10-0a7i-0900070700-45f1a3bf3aac260695072017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Erythromycin LC-ESI-QTOF , positive-QTOFsplash10-0a4i-0900020000-c282d6a703a3a812c91a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Erythromycin LC-ESI-QTOF , positive-QTOFsplash10-0a4i-0900000000-b11e26802dca28ea88f02017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Erythromycin LC-ESI-QTOF , positive-QTOFsplash10-0a4i-0900000000-5ea1e94063a49c0d6ddb2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Erythromycin LC-ESI-ITFT , positive-QTOFsplash10-004i-0000090000-f0fcdc5ed4d00170f2a32017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Erythromycin LC-ESI-ITFT , positive-QTOFsplash10-001i-0200000900-439b7d31b57ea93dff402017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Erythromycin LC-ESI-ITFT , positive-QTOFsplash10-0a59-4900000000-1cb488a53f50cba638cf2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Erythromycin LC-ESI-ITFT , positive-QTOFsplash10-001i-9700000000-239fd7095409362c75bc2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Erythromycin LC-ESI-ITFT , positive-QTOFsplash10-001i-9000000000-37757a9a6c61ec2bac1b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Erythromycin LC-ESI-ITFT , positive-QTOFsplash10-001i-9000000000-2d04ae69b21d82ee07632017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Erythromycin LC-ESI-ITFT , positive-QTOFsplash10-001i-9000000000-2d04ae69b21d82ee07632017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Erythromycin LC-ESI-ITFT , positive-QTOFsplash10-053r-0500000900-20a1c46dfdef404c9d3e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Erythromycin LC-ESI-ITFT , positive-QTOFsplash10-0a59-5900000000-c7e9166d7e79e23023a52017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Erythromycin LC-ESI-ITFT , positive-QTOFsplash10-053r-9800000000-07e4c66bcd0be93f7c092017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Erythromycin LC-ESI-ITFT , positive-QTOFsplash10-001i-9200000000-553fb27002eceacb92702017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Erythromycin LC-ESI-ITFT , positive-QTOFsplash10-001i-9000000000-9725c29b26f7cbbef5762017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Erythromycin LC-ESI-ITFT , positive-QTOFsplash10-001i-9000000000-2d04ae69b21d82ee07632017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Erythromycin 10V, Positive-QTOFsplash10-0a6r-0100190400-bba224728cad417eed352016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Erythromycin 20V, Positive-QTOFsplash10-0aor-2300890000-9f5f37c2d871150986c82016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Erythromycin 40V, Positive-QTOFsplash10-0006-9202310000-eded1d6e9587fe9797c52016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Erythromycin 10V, Negative-QTOFsplash10-05cr-0700162900-29e82d5292241ea5e1e22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Erythromycin 20V, Negative-QTOFsplash10-0l90-1302393200-c98df51d2d2c1a4477022016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Erythromycin 40V, Negative-QTOFsplash10-0006-4500981000-7a2274e0e23ee0c26b222016-08-03Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00199 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00199 details
Abnormal Concentrations
Not Available
Predicted Concentrations
BiospecimenValueOriginal ageOriginal sexOriginal conditionComments
Blood0.000 uMAdult (>18 years old)BothNormalPredicted based on drug qualities
Blood0.000 umol/mmol creatinineAdult (>18 years old)BothNormalPredicted based on drug qualities
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00199
Phenol Explorer Compound IDNot Available
FooDB IDFDB015812
KNApSAcK IDNot Available
Chemspider ID12041
KEGG Compound IDC01912
BioCyc IDCPD-13804
BiGG IDNot Available
Wikipedia LinkErythromycin
METLIN IDNot Available
PubChem Compound12560
PDB IDNot Available
ChEBI ID42355
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Kanazawa S, Ohkubo T, Sugawara K: The effects of grapefruit juice on the pharmacokinetics of erythromycin. Eur J Clin Pharmacol. 2001 Jan-Feb;56(11):799-803. [PubMed:11294369 ]
  2. Ogwal S, Xide TU: Bioavailability and stability of erythromycin delayed release tablets. Afr Health Sci. 2001 Dec;1(2):90-6. [PubMed:12789122 ]
  3. Okudaira T, Kotegawa T, Imai H, Tsutsumi K, Nakano S, Ohashi K: Effect of the treatment period with erythromycin on cytochrome P450 3A activity in humans. J Clin Pharmacol. 2007 Jul;47(7):871-6. [PubMed:17585116 ]

Enzymes

Enzyme Details
1. Cytochrome P450 3A4
General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation reactions (e.g. caffeine 8-oxidation, omeprazole sulphoxidation, midazolam 1'-hydroxylation and midazolam 4-hydroxylation) of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,8-cineole 2-exo-monooxygenase. The enzyme also hydroxylates etoposide.
Gene Name:
CYP3A4
Uniprot ID:
P08684
Molecular weight:
57255.585
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]
  2. Ekins S, Bravi G, Wikel JH, Wrighton SA: Three-dimensional-quantitative structure activity relationship analysis of cytochrome P-450 3A4 substrates. J Pharmacol Exp Ther. 1999 Oct;291(1):424-33. [PubMed:10490933 ]
Enzyme Details
2. Cytochrome P450 3A5
General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics.
Gene Name:
CYP3A5
Uniprot ID:
P20815
Molecular weight:
57108.065
Enzyme Details
3. Cytochrome P450 3A7
General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics.
Gene Name:
CYP3A7
Uniprot ID:
P24462
Molecular weight:
57525.03
Enzyme Details
4. Cytochrome P450 1A2
General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Most active in catalyzing 2-hydroxylation. Caffeine is metabolized primarily by cytochrome CYP1A2 in the liver through an initial N3-demethylation. Also acts in the metabolism of aflatoxin B1 and acetaminophen. Participates in the bioactivation of carcinogenic aromatic and heterocyclic amines. Catalizes the N-hydroxylation of heterocyclic amines and the O-deethylation of phenacetin.
Gene Name:
CYP1A2
Uniprot ID:
P05177
Molecular weight:
58406.915
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]

Transporters

Enzyme Details
1. Multidrug resistance-associated protein 1
General function:
Involved in ATP binding
Specific function:
Mediates export of organic anions and drugs from the cytoplasm. Mediates ATP-dependent transport of glutathione and glutathione conjugates, leukotriene C4, estradiol-17-beta-o- glucuronide, methotrexate, antiviral drugs and other xenobiotics. Confers resistance to anticancer drugs. Hydrolyzes ATP with low efficiency
Gene Name:
ABCC1
Uniprot ID:
P33527
Molecular weight:
171589.5
References
  1. Terashi K, Oka M, Soda H, Fukuda M, Kawabata S, Nakatomi K, Shiozawa K, Nakamura T, Tsukamoto K, Noguchi Y, Suenaga M, Tei C, Kohno S: Interactions of ofloxacin and erythromycin with the multidrug resistance protein (MRP) in MRP-overexpressing human leukemia cells. Antimicrob Agents Chemother. 2000 Jun;44(6):1697-700. [PubMed:10817732 ]
Enzyme Details
2. Multidrug resistance protein 1
General function:
Involved in ATP binding
Specific function:
Energy-dependent efflux pump responsible for decreased drug accumulation in multidrug-resistant cells
Gene Name:
ABCB1
Uniprot ID:
P08183
Molecular weight:
141477.3
References
  1. Schuetz EG, Beck WT, Schuetz JD: Modulators and substrates of P-glycoprotein and cytochrome P4503A coordinately up-regulate these proteins in human colon carcinoma cells. Mol Pharmacol. 1996 Feb;49(2):311-8. [PubMed:8632764 ]
  2. Polli JW, Wring SA, Humphreys JE, Huang L, Morgan JB, Webster LO, Serabjit-Singh CS: Rational use of in vitro P-glycoprotein assays in drug discovery. J Pharmacol Exp Ther. 2001 Nov;299(2):620-8. [PubMed:11602674 ]
  3. Ekins S, Kim RB, Leake BF, Dantzig AH, Schuetz EG, Lan LB, Yasuda K, Shepard RL, Winter MA, Schuetz JD, Wikel JH, Wrighton SA: Three-dimensional quantitative structure-activity relationships of inhibitors of P-glycoprotein. Mol Pharmacol. 2002 May;61(5):964-73. [PubMed:11961113 ]
  4. Schwab D, Fischer H, Tabatabaei A, Poli S, Huwyler J: Comparison of in vitro P-glycoprotein screening assays: recommendations for their use in drug discovery. J Med Chem. 2003 Apr 24;46(9):1716-25. [PubMed:12699389 ]
  5. Takano M, Hasegawa R, Fukuda T, Yumoto R, Nagai J, Murakami T: Interaction with P-glycoprotein and transport of erythromycin, midazolam and ketoconazole in Caco-2 cells. Eur J Pharmacol. 1998 Oct 9;358(3):289-94. [PubMed:9822896 ]
  6. Kim RB, Wandel C, Leake B, Cvetkovic M, Fromm MF, Dempsey PJ, Roden MM, Belas F, Chaudhary AK, Roden DM, Wood AJ, Wilkinson GR: Interrelationship between substrates and inhibitors of human CYP3A and P-glycoprotein. Pharm Res. 1999 Mar;16(3):408-14. [PubMed:10213372 ]
  7. Asakura E, Nakayama H, Sugie M, Zhao YL, Nadai M, Kitaichi K, Shimizu A, Miyoshi M, Takagi K, Takagi K, Hasegawa T: Azithromycin reverses anticancer drug resistance and modifies hepatobiliary excretion of doxorubicin in rats. Eur J Pharmacol. 2004 Jan 26;484(2-3):333-9. [PubMed:14744620 ]
  8. Yasuda K, Lan LB, Sanglard D, Furuya K, Schuetz JD, Schuetz EG: Interaction of cytochrome P450 3A inhibitors with P-glycoprotein. J Pharmacol Exp Ther. 2002 Oct;303(1):323-32. [PubMed:12235267 ]
  9. Dahan A, Sabit H, Amidon GL: The H2 receptor antagonist nizatidine is a P-glycoprotein substrate: characterization of its intestinal epithelial cell efflux transport. AAPS J. 2009 Jun;11(2):205-13. doi: 10.1208/s12248-009-9092-5. Epub 2009 Mar 25. [PubMed:19319690 ]
  10. Sun H, Huang Y, Frassetto L, Benet LZ: Effects of uremic toxins on hepatic uptake and metabolism of erythromycin. Drug Metab Dispos. 2004 Nov;32(11):1239-46. Epub 2004 Jul 30. [PubMed:15286055 ]
Enzyme Details
3. Solute carrier organic anion transporter family member 1A2
General function:
Involved in transporter activity
Specific function:
Mediates the Na(+)-independent transport of organic anions such as sulfobromophthalein (BSP) and conjugated (taurocholate) and unconjugated (cholate) bile acids
Gene Name:
SLCO1A2
Uniprot ID:
P46721
Molecular weight:
74144.1
References
  1. Cvetkovic M, Leake B, Fromm MF, Wilkinson GR, Kim RB: OATP and P-glycoprotein transporters mediate the cellular uptake and excretion of fexofenadine. Drug Metab Dispos. 1999 Aug;27(8):866-71. [PubMed:10421612 ]
Enzyme Details
4. Solute carrier family 22 member 7
General function:
Involved in transmembrane transport
Specific function:
Mediates sodium-independent multispecific organic anion transport. Transport of prostaglandin E2, prostaglandin F2, tetracycline, bumetanide, estrone sulfate, glutarate, dehydroepiandrosterone sulfate, allopurinol, 5-fluorouracil, paclitaxel, L-ascorbic acid, salicylate, ethotrexate, and alpha- ketoglutarate
Gene Name:
SLC22A7
Uniprot ID:
Q9Y694
Molecular weight:
60025.0
References
  1. Kobayashi Y, Sakai R, Ohshiro N, Ohbayashi M, Kohyama N, Yamamoto T: Possible involvement of organic anion transporter 2 on the interaction of theophylline with erythromycin in the human liver. Drug Metab Dispos. 2005 May;33(5):619-22. Epub 2005 Feb 11. [PubMed:15708966 ]
  2. Kobayashi Y, Ohshiro N, Shibusawa A, Sasaki T, Tokuyama S, Sekine T, Endou H, Yamamoto T: Isolation, characterization and differential gene expression of multispecific organic anion transporter 2 in mice. Mol Pharmacol. 2002 Jul;62(1):7-14. [PubMed:12065749 ]