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Showing metabocard for delta-Carotene (HMDB0036925)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 22:06:45 UTC
Update Date2022-03-07 02:55:07 UTC
HMDB IDHMDB0036925
Secondary Accession Numbers
  • HMDB36925
Metabolite Identification
Common Namedelta-Carotene
Descriptiondelta-Carotene (CAS: 472-92-4), also known as epsilon,psi-carotene, belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Thus, delta-carotene is considered to be an isoprenoid lipid molecule. delta-Carotene is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
Structure
Data?1588108381
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0036925 (delta-Carotene)


  Mrv1652304282023022D          

 40 40  0  0  0  0            999 V2000
   -7.1431   -0.0528    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4286    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8575   -1.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5719   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7141   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5719   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9996    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2852   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9996    1.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5707    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8562   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1418    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4273   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1418    1.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7128    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0016   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7160    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4306   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4306   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5740    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2885   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0029    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2885   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7173   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8608    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2898    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5753   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4286   -1.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1464   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1464   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7187    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2700    1.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.4450    1.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  1 39  1  0  0  0  0
  1  2  1  1  0  0  0
 31  3  2  0  0  0  0
 39  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 34  2  0  0  0  0
 34 28  1  0  0  0  0
 36 29  2  0  0  0  0
 28 30  1  0  0  0  0
  4  6  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 34 33  1  0  0  0  0
 36 35  1  0  0  0  0
 36 37  1  0  0  0  0
 39 38  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
Download

3D MOL for HMDB0036925 (delta-Carotene)

HMDB0036925
     RDKit          3D
delta-Carotene
 96 96  0  0  0  0  0  0  0  0999 V2000
   16.2642   -0.1663    3.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9069    0.1433    2.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9799    1.0423    3.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5864   -0.4098    1.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2674   -0.1637    0.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4696    0.4655   -0.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1304    0.6838   -1.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0978    1.3008   -2.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9943    0.3802   -0.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6935    0.6271   -1.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    0.3094   -0.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2321    0.4898   -1.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0183    1.0948   -2.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1613    0.1257   -0.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488    0.3409   -1.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0138   -0.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3971    0.2185   -1.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2381    0.8358   -2.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3086   -0.1315   -0.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4603    0.4649    4.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2587   -1.0720    0.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6701    0.5330    1.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9992    1.4266   -0.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0202   -0.0669    0.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2752   -0.3094    0.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8283   -0.4275    0.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4924   -0.5723    0.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3409    0.4359   -1.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8138   -1.6373    2.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
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  -14.7486    0.6897    1.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.4749    1.5163   -1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  2  4  2  3
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  7  9  2  0
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 39 92  1  0
 39 93  1  0
 40 94  1  0
 40 95  1  0
 40 96  1  0
M  END
Download

3D SDF for HMDB0036925 (delta-Carotene)


  Mrv1652304282023022D          

 40 40  0  0  0  0            999 V2000
   -7.1431   -0.0528    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4286    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8575   -1.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5719   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7141   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5719   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9996    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2852   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9996    1.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5707    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2885   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0029    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2885   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4319    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2898    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.1431   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1464   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 31  1  0  0  0  0
  1 39  1  0  0  0  0
  1  2  1  1  0  0  0
 31  3  2  0  0  0  0
 39  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
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 34 28  1  0  0  0  0
 36 29  2  0  0  0  0
 28 30  1  0  0  0  0
  4  6  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 34 33  1  0  0  0  0
 36 35  1  0  0  0  0
 36 37  1  0  0  0  0
 39 38  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0036925

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]1C(C)=CCCC1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-30,39H,13,17,21,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+/t39-/m0/s1

> <INCHI_KEY>
WGIYGODPCLMGQH-GOXCNPTKSA-N

> <FORMULA>
C40H56

> <MOLECULAR_WEIGHT>
536.888

> <EXACT_MASS>
536.438201803

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
96

> <JCHEM_AVERAGE_POLARIZABILITY>
72.58933668248676

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-1,5,5-trimethylcyclohex-1-ene

> <ALOGPS_LOGP>
9.50

> <JCHEM_LOGP>
11.571614284333332

> <ALOGPS_LOGS>
-6.20

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
194.97550000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.39e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
delta-carotene

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0036925 (delta-Carotene)

HMDB0036925
     RDKit          3D
delta-Carotene
 96 96  0  0  0  0  0  0  0  0999 V2000
   16.2642   -0.1663    3.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9069    0.1433    2.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9799    1.0423    3.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5864   -0.4098    1.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2674   -0.1637    0.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4696    0.4655   -0.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1304    0.6838   -1.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0978    1.3008   -2.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9943    0.3802   -0.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6935    0.6271   -1.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    0.3094   -0.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2321    0.4898   -1.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0183    1.0948   -2.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1613    0.1257   -0.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3971    0.2185   -1.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.6093   -0.9747    0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7356   -1.2717    0.8814 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9194    2.0020    2.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9842    0.5671    3.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2587   -1.0720    0.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7283   -1.1306    0.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6701    0.5330    1.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9992    1.4266   -0.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0450   -0.2049   -1.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4364    0.6647   -3.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1337    1.3416   -2.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6688    1.0700   -2.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6855   -0.1428    0.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3563    1.9996   -2.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
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 39 92  1  0
 39 93  1  0
 40 94  1  0
 40 95  1  0
 40 96  1  0
M  END
Download

PDB for HMDB0036925 (delta-Carotene)

HEADER    PROTEIN                                 28-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-20         0                                  
HETATM    1  C   UNK     0     -13.334  -0.099   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -12.000   0.671   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -14.667  -2.409   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -16.001  -0.099   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -10.666  -0.099   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -16.001  -1.639   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -9.333   0.671   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -7.999  -0.099   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -9.333   2.211   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.665   0.671   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.332  -0.099   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.998   0.671   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.664  -0.099   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.998   2.211   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.331   0.671   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.003  -0.099   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.337   0.671   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.670  -0.099   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.004   0.671   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.670  -1.639   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.338  -0.099   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.671   0.671   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.005  -0.099   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.339   0.671   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.005  -1.639   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.672  -0.099   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.006   0.671   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      14.673   0.671   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      17.341   0.671   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      16.007  -0.099   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0     -13.334  -1.639   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0     -12.000  -2.409   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      13.340  -1.639   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      13.340  -0.099   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      18.675  -1.639   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      18.675  -0.099   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      20.008   0.671   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0     -15.437   2.005   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0     -14.667   0.671   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0     -13.897   2.005   0.000  0.00  0.00           C+0
CONECT    1   31   39    2                                                  
CONECT    2    1    5                                                       
CONECT    3   31    6                                                       
CONECT    4   39    6                                                       
CONECT    5    2    7                                                       
CONECT    6    3    4                                                       
CONECT    7    5    8    9                                                  
CONECT    8    7   10                                                       
CONECT    9    7                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12   15                                                       
CONECT   14   12                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18   21                                                       
CONECT   20   18                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23   26                                                       
CONECT   25   23                                                            
CONECT   26   24   27                                                       
CONECT   27   26   34                                                       
CONECT   28   34   30                                                       
CONECT   29   36   30                                                       
CONECT   30   28   29                                                       
CONECT   31    1    3   32                                                  
CONECT   32   31                                                            
CONECT   33   34                                                            
CONECT   34   27   28   33                                                  
CONECT   35   36                                                            
CONECT   36   29   35   37                                                  
CONECT   37   36                                                            
CONECT   38   39                                                            
CONECT   39    1    4   38   40                                             
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   80    0
END
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3D PDB for HMDB0036925 (delta-Carotene)

COMPND    HMDB0036925
HETATM    1  C1  UNL     1      16.264  -0.166   3.185  1.00  0.00           C  
HETATM    2  C2  UNL     1      14.907   0.143   2.606  1.00  0.00           C  
HETATM    3  C3  UNL     1      13.980   1.042   3.320  1.00  0.00           C  
HETATM    4  C4  UNL     1      14.586  -0.410   1.459  1.00  0.00           C  
HETATM    5  C5  UNL     1      13.267  -0.164   0.808  1.00  0.00           C  
HETATM    6  C6  UNL     1      13.470   0.466  -0.553  1.00  0.00           C  
HETATM    7  C7  UNL     1      12.130   0.684  -1.155  1.00  0.00           C  
HETATM    8  C8  UNL     1      12.098   1.301  -2.520  1.00  0.00           C  
HETATM    9  C9  UNL     1      10.994   0.380  -0.594  1.00  0.00           C  
HETATM   10  C10 UNL     1       9.694   0.627  -1.255  1.00  0.00           C  
HETATM   11  C11 UNL     1       8.572   0.309  -0.664  1.00  0.00           C  
HETATM   12  C12 UNL     1       7.232   0.490  -1.184  1.00  0.00           C  
HETATM   13  C13 UNL     1       7.018   1.095  -2.514  1.00  0.00           C  
HETATM   14  C14 UNL     1       6.161   0.126  -0.491  1.00  0.00           C  
HETATM   15  C15 UNL     1       4.849   0.341  -1.087  1.00  0.00           C  
HETATM   16  C16 UNL     1       3.732   0.014  -0.476  1.00  0.00           C  
HETATM   17  C17 UNL     1       2.397   0.218  -1.051  1.00  0.00           C  
HETATM   18  C18 UNL     1       2.238   0.836  -2.392  1.00  0.00           C  
HETATM   19  C19 UNL     1       1.309  -0.132  -0.393  1.00  0.00           C  
HETATM   20  C20 UNL     1      -0.052   0.026  -0.872  1.00  0.00           C  
HETATM   21  C21 UNL     1      -1.057  -0.371  -0.094  1.00  0.00           C  
HETATM   22  C22 UNL     1      -2.440  -0.251  -0.495  1.00  0.00           C  
HETATM   23  C23 UNL     1      -3.406  -0.662   0.326  1.00  0.00           C  
HETATM   24  C24 UNL     1      -2.961  -1.222   1.618  1.00  0.00           C  
HETATM   25  C25 UNL     1      -4.801  -0.548  -0.098  1.00  0.00           C  
HETATM   26  C26 UNL     1      -5.818  -0.911   0.626  1.00  0.00           C  
HETATM   27  C27 UNL     1      -7.193  -0.774   0.144  1.00  0.00           C  
HETATM   28  C28 UNL     1      -8.267  -1.122   0.835  1.00  0.00           C  
HETATM   29  C29 UNL     1      -8.009  -1.682   2.178  1.00  0.00           C  
HETATM   30  C30 UNL     1      -9.609  -0.975   0.304  1.00  0.00           C  
HETATM   31  C31 UNL     1     -10.736  -1.272   0.881  1.00  0.00           C  
HETATM   32  C32 UNL     1     -12.093  -1.117   0.325  1.00  0.00           C  
HETATM   33  C33 UNL     1     -12.843  -0.161   1.221  1.00  0.00           C  
HETATM   34  C34 UNL     1     -12.212   0.505   2.370  1.00  0.00           C  
HETATM   35  C35 UNL     1     -14.123   0.028   0.883  1.00  0.00           C  
HETATM   36  C36 UNL     1     -14.585  -0.735  -0.312  1.00  0.00           C  
HETATM   37  C37 UNL     1     -13.645  -0.529  -1.449  1.00  0.00           C  
HETATM   38  C38 UNL     1     -12.176  -0.568  -1.056  1.00  0.00           C  
HETATM   39  C39 UNL     1     -11.479  -1.456  -2.075  1.00  0.00           C  
HETATM   40  C40 UNL     1     -11.620   0.822  -1.200  1.00  0.00           C  
HETATM   41  H1  UNL     1      16.460   0.465   4.059  1.00  0.00           H  
HETATM   42  H2  UNL     1      16.314  -1.236   3.526  1.00  0.00           H  
HETATM   43  H3  UNL     1      17.047  -0.007   2.406  1.00  0.00           H  
HETATM   44  H4  UNL     1      14.388   1.248   4.332  1.00  0.00           H  
HETATM   45  H5  UNL     1      13.919   2.002   2.770  1.00  0.00           H  
HETATM   46  H6  UNL     1      12.984   0.567   3.438  1.00  0.00           H  
HETATM   47  H7  UNL     1      15.259  -1.072   0.927  1.00  0.00           H  
HETATM   48  H8  UNL     1      12.728  -1.131   0.726  1.00  0.00           H  
HETATM   49  H9  UNL     1      12.670   0.533   1.423  1.00  0.00           H  
HETATM   50  H10 UNL     1      13.999   1.427  -0.371  1.00  0.00           H  
HETATM   51  H11 UNL     1      14.045  -0.205  -1.224  1.00  0.00           H  
HETATM   52  H12 UNL     1      11.436   0.665  -3.143  1.00  0.00           H  
HETATM   53  H13 UNL     1      13.134   1.342  -2.969  1.00  0.00           H  
HETATM   54  H14 UNL     1      11.673   2.315  -2.493  1.00  0.00           H  
HETATM   55  H15 UNL     1      11.020  -0.067   0.389  1.00  0.00           H  
HETATM   56  H16 UNL     1       9.669   1.070  -2.229  1.00  0.00           H  
HETATM   57  H17 UNL     1       8.686  -0.143   0.338  1.00  0.00           H  
HETATM   58  H18 UNL     1       6.356   2.000  -2.357  1.00  0.00           H  
HETATM   59  H19 UNL     1       6.414   0.414  -3.180  1.00  0.00           H  
HETATM   60  H20 UNL     1       7.905   1.410  -3.045  1.00  0.00           H  
HETATM   61  H21 UNL     1       6.275  -0.309   0.471  1.00  0.00           H  
HETATM   62  H22 UNL     1       4.748   0.783  -2.068  1.00  0.00           H  
HETATM   63  H23 UNL     1       3.828  -0.428   0.503  1.00  0.00           H  
HETATM   64  H24 UNL     1       2.485   0.136  -3.211  1.00  0.00           H  
HETATM   65  H25 UNL     1       1.272   1.334  -2.549  1.00  0.00           H  
HETATM   66  H26 UNL     1       2.995   1.668  -2.467  1.00  0.00           H  
HETATM   67  H27 UNL     1       1.492  -0.572   0.588  1.00  0.00           H  
HETATM   68  H28 UNL     1      -0.341   0.436  -1.810  1.00  0.00           H  
HETATM   69  H29 UNL     1      -0.797  -0.791   0.864  1.00  0.00           H  
HETATM   70  H30 UNL     1      -2.686   0.166  -1.448  1.00  0.00           H  
HETATM   71  H31 UNL     1      -3.814  -1.637   2.175  1.00  0.00           H  
HETATM   72  H32 UNL     1      -2.527  -0.428   2.273  1.00  0.00           H  
HETATM   73  H33 UNL     1      -2.253  -2.071   1.488  1.00  0.00           H  
HETATM   74  H34 UNL     1      -5.053  -0.134  -1.083  1.00  0.00           H  
HETATM   75  H35 UNL     1      -5.678  -1.323   1.605  1.00  0.00           H  
HETATM   76  H36 UNL     1      -7.354  -0.360  -0.841  1.00  0.00           H  
HETATM   77  H37 UNL     1      -7.234  -2.480   2.162  1.00  0.00           H  
HETATM   78  H38 UNL     1      -8.898  -2.153   2.625  1.00  0.00           H  
HETATM   79  H39 UNL     1      -7.722  -0.864   2.901  1.00  0.00           H  
HETATM   80  H40 UNL     1      -9.662  -0.564  -0.701  1.00  0.00           H  
HETATM   81  H41 UNL     1     -10.648  -1.684   1.905  1.00  0.00           H  
HETATM   82  H42 UNL     1     -12.675  -2.063   0.348  1.00  0.00           H  
HETATM   83  H43 UNL     1     -12.472  -0.030   3.330  1.00  0.00           H  
HETATM   84  H44 UNL     1     -12.572   1.555   2.392  1.00  0.00           H  
HETATM   85  H45 UNL     1     -11.106   0.508   2.241  1.00  0.00           H  
HETATM   86  H46 UNL     1     -14.749   0.690   1.454  1.00  0.00           H  
HETATM   87  H47 UNL     1     -14.699  -1.818  -0.096  1.00  0.00           H  
HETATM   88  H48 UNL     1     -15.584  -0.354  -0.597  1.00  0.00           H  
HETATM   89  H49 UNL     1     -13.886  -1.327  -2.210  1.00  0.00           H  
HETATM   90  H50 UNL     1     -13.917   0.429  -1.961  1.00  0.00           H  
HETATM   91  H51 UNL     1     -10.973  -2.333  -1.575  1.00  0.00           H  
HETATM   92  H52 UNL     1     -10.822  -0.918  -2.760  1.00  0.00           H  
HETATM   93  H53 UNL     1     -12.263  -1.927  -2.699  1.00  0.00           H  
HETATM   94  H54 UNL     1     -10.911   0.947  -2.041  1.00  0.00           H  
HETATM   95  H55 UNL     1     -11.207   1.178  -0.230  1.00  0.00           H  
HETATM   96  H56 UNL     1     -12.475   1.516  -1.410  1.00  0.00           H  
CONECT    1    2   41   42   43
CONECT    2    3    4    4
CONECT    3   44   45   46
CONECT    4    5   47
CONECT    5    6   48   49
CONECT    6    7   50   51
CONECT    7    8    9    9
CONECT    8   52   53   54
CONECT    9   10   55
CONECT   10   11   11   56
CONECT   11   12   57
CONECT   12   13   14   14
CONECT   13   58   59   60
CONECT   14   15   61
CONECT   15   16   16   62
CONECT   16   17   63
CONECT   17   18   19   19
CONECT   18   64   65   66
CONECT   19   20   67
CONECT   20   21   21   68
CONECT   21   22   69
CONECT   22   23   23   70
CONECT   23   24   25
CONECT   24   71   72   73
CONECT   25   26   26   74
CONECT   26   27   75
CONECT   27   28   28   76
CONECT   28   29   30
CONECT   29   77   78   79
CONECT   30   31   31   80
CONECT   31   32   81
CONECT   32   33   38   82
CONECT   33   34   35   35
CONECT   34   83   84   85
CONECT   35   36   86
CONECT   36   37   87   88
CONECT   37   38   89   90
CONECT   38   39   40
CONECT   39   91   92   93
CONECT   40   94   95   96
END
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SMILES for HMDB0036925 (delta-Carotene)

CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]1C(C)=CCCC1(C)C
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INCHI for HMDB0036925 (delta-Carotene)

InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-30,39H,13,17,21,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+/t39-/m0/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Δ-caroteneGenerator
(6R)-all-trans-delta-CaroteneHMDB
(6R)-all-trans-Δ-caroteneHMDB
(6R)-delta-CaroteneHMDB
(6R)-epsilon,Psi-caroteneHMDB
(6R)-Δ-caroteneHMDB
(6R)-Ε,ψ-caroteneHMDB
all-trans-delta-CaroteneHMDB
all-trans-Δ-caroteneHMDB
epsilon,Psi-caroteneHMDB
Ε,ψ-caroteneHMDB
delta-CaroteneHMDB
Chemical FormulaC40H56
Average Molecular Weight536.888
Monoisotopic Molecular Weight536.438201803
IUPAC Name(6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-1,5,5-trimethylcyclohex-1-ene
Traditional Namedelta-carotene
CAS Registry Number31063-33-9
SMILES
CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]1C(C)=CCCC1(C)C
InChI Identifier
InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-30,39H,13,17,21,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+/t39-/m0/s1
InChI KeyWGIYGODPCLMGQH-GOXCNPTKSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassTetraterpenoids
Direct ParentCarotenes
Alternative Parents
Substituents
  • Carotene
  • Branched unsaturated hydrocarbon
  • Cycloalkene
  • Cyclic olefin
  • Unsaturated aliphatic hydrocarbon
  • Unsaturated hydrocarbon
  • Olefin
  • Hydrocarbon
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic 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 Point172 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility1.4e-13 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.00034 g/LALOGPS
logP9.5ALOGPS
logP11.57ChemAxon
logS-6.2ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count13ChemAxon
Refractivity194.98 m³·mol⁻¹ChemAxon
Polarizability72.59 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+249.85830932474
DeepCCS[M-H]-248.03430932474
DeepCCS[M-2H]-281.27630932474
DeepCCS[M+Na]+255.46430932474
AllCCS[M+H]+243.332859911
AllCCS[M+H-H2O]+241.632859911
AllCCS[M+NH4]+244.832859911
AllCCS[M+Na]+245.232859911
AllCCS[M-H]-223.732859911
AllCCS[M+Na-2H]-225.932859911
AllCCS[M+HCOO]-228.432859911

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, 2022.3.76 minutes32390414
Predicted by Siyang on May 30, 202250.0293 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20221.3 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid6225.0 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid1512.8 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid581.0 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid988.9 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid688.2 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid1930.8 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 Acid1288.5 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)137.8 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid4336.5 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid1497.4 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid2260.2 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid1757.1 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid1042.0 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate630.5 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA1301.0 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water10.9 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
delta-CaroteneCC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]1C(C)=CCCC1(C)C4741.3Standard polar33892256
delta-CaroteneCC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]1C(C)=CCCC1(C)C4303.1Standard non polar33892256
delta-CaroteneCC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]1C(C)=CCCC1(C)C3974.9Semi standard non polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - delta-Carotene 10V, Positive-QTOFsplash10-000j-0339780000-52de2bd6d8de1aca8a6c2017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - delta-Carotene 20V, Positive-QTOFsplash10-000t-0229400000-0cb5f3c2a16cfcc8798c2017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - delta-Carotene 40V, Positive-QTOFsplash10-00lb-2129600000-f43a7efb26519b843b632017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - delta-Carotene 10V, Negative-QTOFsplash10-000i-0000090000-8b663533eeaaa3c6aa302017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - delta-Carotene 20V, Negative-QTOFsplash10-000i-0001190000-6ed7bf0e7cea8c5f72ab2017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - delta-Carotene 40V, Negative-QTOFsplash10-014i-0149760000-db22dacbee318b2495742017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - delta-Carotene 10V, Negative-QTOFsplash10-000i-0111090000-384dd804b19446c8b20b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - delta-Carotene 20V, Negative-QTOFsplash10-000j-0956340000-0ed25bacb859961eebff2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - delta-Carotene 40V, Negative-QTOFsplash10-0udj-1508910000-35a8dd0da9f9b8b263b52021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - delta-Carotene 10V, Positive-QTOFsplash10-000l-2049430000-80146d85cce78c1d53cc2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - delta-Carotene 20V, Positive-QTOFsplash10-003v-9255700000-1edd1abcefd5a92356532021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - delta-Carotene 40V, Positive-QTOFsplash10-0h00-5946500000-98e189074df96a7d6f382021-09-23Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB015894
KNApSAcK IDC00003766
Chemspider ID4444642
KEGG Compound IDC08586
BioCyc IDCPD1F-115
BiGG IDNot Available
Wikipedia LinkDelta-Carotene
METLIN IDNot Available
PubChem Compound5281230
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1384681
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. KARGL TE, QUACKENBUSCH FW: The structure of deltacarotene. Arch Biochem Biophys. 1960 May;88:59-63. [PubMed:14404466 ]
  2. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  3. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  4. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  5. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  6. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  7. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.