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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:49 UTC
Update Date2022-03-07 02:51:36 UTC
HMDB IDHMDB0014408
Secondary Accession Numbers
  • HMDB14408
Metabolite Identification
Common NameSulfisoxazole
DescriptionSulfisoxazole is only found in individuals that have used or taken this drug. It is a short-acting sulfonamide antibacterial with activity against a wide range of gram- negative and gram-positive organisms. [PubChem]Sulfisoxazole is a competitive inhibitor of the enzyme dihydropteroate synthetase. It inhibits bacterial synthesis of dihydrofolic acid by preventing the condensation of the pteridine with para-aminobenzoic acid (PABA), a substrate of the enzyme dihydropteroate synthetase. The inhibited reaction is necessary in these organisms for the synthesis of folic acid.
Structure
Data?1582753176
Synonyms
ValueSource
3,4-Dimethyl-5-sulfanilamidoisoxazoleChEBI
3,4-Dimethyl-5-sulfonamidoisoxazoleChEBI
3,4-Dimethyl-5-sulphanilamidoisoxazoleChEBI
3,4-Dimethyl-5-sulphonamidoisoxazoleChEBI
3,4-Dimethylisoxazole-5-sulfanilamideChEBI
3,4-Dimethylisoxazole-5-sulphanilamideChEBI
4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamideChEBI
4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulphonamideChEBI
5-(4-Aminophenylsulfonamido)-3,4-dimethylisoxazoleChEBI
5-(p-Aminobenzenesulfonamido)-3,4-dimethylisoxazoleChEBI
5-(p-Aminobenzenesulphonamido)-3,4-dimethylisoxazoleChEBI
5-Sulfanilamido-3,4-dimethylisoxazoleChEBI
5-Sulphanilamido-3,4-dimethyl-isoxazoleChEBI
N'-(3,4)dimethylisoxazol-5-yl-sulphanilamideChEBI
N(1)-(3,4-Dimethyl-5-isoxazolyl)sulfanilamideChEBI
N(1)-(3,4-Dimethyl-5-isoxazolyl)sulphanilamideChEBI
SulfadimethylisoxazoleChEBI
SulfafurazolChEBI
SulfafurazoleChEBI
SulfafurazolumChEBI
SulfaisoxazoleChEBI
SulfasoxazoleChEBI
SulfisonazoleChEBI
SulfisoxasoleChEBI
SulfisoxazolChEBI
SulfofurazoleChEBI
SulphadimethylisoxazoleChEBI
SulphafurazolChEBI
SulphafurazoleChEBI
SulphaisoxazoleChEBI
SulphisoxazolChEBI
SulphofurazoleChEBI
GantrisinKegg
5-(4-Aminophenylsulphonamido)-3,4-dimethylisoxazoleGenerator
5-Sulphanilamido-3,4-dimethylisoxazoleGenerator
5-Sulfanilamido-3,4-dimethyl-isoxazoleGenerator
N'-(3,4)dimethylisoxazol-5-yl-sulfanilamideGenerator
SulphafurazolumGenerator
SulphasoxazoleGenerator
SulphisonazoleGenerator
SulphisoxasoleGenerator
SulphisoxazoleGenerator
Sulfisoxazole dialamineHMDB
Sulfisoxazole diolamineHMDB
Ammonium salt sulfisoxazoleHMDB
Diolamine, sulfisoxazoleHMDB
Roche brand OF sulfisoxazoleHMDB
SulfasoxizoleHMDB
Sulfisoxazole roche brandHMDB
Sulfisoxazole, monosodium saltHMDB
TL-AzoleHMDB
V-SulHMDB
Pediatric, gantrisinHMDB
Sulfisoxazole, ammonium saltHMDB
Sulfisoxazole, monolithium saltHMDB
TL AzoleHMDB
V SulHMDB
Gantrisin pediatricHMDB
Monolithium salt sulfisoxazoleHMDB
Sulfisoxazole, monosodium, monomesylate saltHMDB
Vangard brand OF sulfisoxazoleHMDB
FNA brand OF sulfisoxazoleHMDB
Monosodium salt sulfisoxazoleHMDB
NeoxazoiHMDB
Roche brand OF sulfisoxazole acetateHMDB
Roche brand OF sulfisoxazole diolamineHMDB
SulfadimethyloxazoleHMDB
Sulfafurazol fnaHMDB
Sulfisoxazole, triammonium saltHMDB
Triammonium salt sulfisoxazoleHMDB
Zenith brand OF sulfisoxazoleHMDB
Chemical FormulaC11H13N3O3S
Average Molecular Weight267.304
Monoisotopic Molecular Weight267.067761987
IUPAC Name4-amino-N-(dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide
Traditional Nameganda
CAS Registry Number127-69-5
SMILES
CC1=NOC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1C
InChI Identifier
InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3
InChI KeyNHUHCSRWZMLRLA-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzenesulfonamides
Direct ParentAminobenzenesulfonamides
Alternative Parents
Substituents
  • Aminobenzenesulfonamide
  • Benzenesulfonyl group
  • Aniline or substituted anilines
  • Organosulfonic acid amide
  • Azole
  • Isoxazole
  • Organic sulfonic acid or derivatives
  • Organosulfonic acid or derivatives
  • Sulfonyl
  • Aminosulfonyl compound
  • Heteroaromatic compound
  • Organoheterocyclic compound
  • Azacycle
  • Oxacycle
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organic oxygen compound
  • Amine
  • Primary amine
  • Organosulfur compound
  • Organopnictogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point194 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.31 g/LNot Available
LogP0.9Not Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+Not Available159.088http://allccs.zhulab.cn/database/detail?ID=AllCCS00000824
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.31 g/LALOGPS
logP1.14ALOGPS
logP0.73ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)5.8ChemAxon
pKa (Strongest Basic)2.17ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area98.22 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity67.92 m³·mol⁻¹ChemAxon
Polarizability26.93 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+161.67131661259
DarkChem[M-H]-163.35431661259
DeepCCS[M+H]+162.33230932474
DeepCCS[M-H]-159.97430932474
DeepCCS[M-2H]-192.8630932474
DeepCCS[M+Na]+168.42530932474
AllCCS[M+H]+160.732859911
AllCCS[M+H-H2O]+157.132859911
AllCCS[M+NH4]+164.132859911
AllCCS[M+Na]+165.132859911
AllCCS[M-H]-158.332859911
AllCCS[M+Na-2H]-158.432859911
AllCCS[M+HCOO]-158.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
SulfisoxazoleCC1=NOC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1C3959.8Standard polar33892256
SulfisoxazoleCC1=NOC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1C2526.1Standard non polar33892256
SulfisoxazoleCC1=NOC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1C2468.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Sulfisoxazole,1TMS,isomer #1CC1=NOC(NS(=O)(=O)C2=CC=C(N[Si](C)(C)C)C=C2)=C1C2793.8Semi standard non polar33892256
Sulfisoxazole,1TMS,isomer #1CC1=NOC(NS(=O)(=O)C2=CC=C(N[Si](C)(C)C)C=C2)=C1C2501.5Standard non polar33892256
Sulfisoxazole,1TMS,isomer #1CC1=NOC(NS(=O)(=O)C2=CC=C(N[Si](C)(C)C)C=C2)=C1C3742.4Standard polar33892256
Sulfisoxazole,1TMS,isomer #2CC1=NOC(N([Si](C)(C)C)S(=O)(=O)C2=CC=C(N)C=C2)=C1C2568.7Semi standard non polar33892256
Sulfisoxazole,1TMS,isomer #2CC1=NOC(N([Si](C)(C)C)S(=O)(=O)C2=CC=C(N)C=C2)=C1C2428.0Standard non polar33892256
Sulfisoxazole,1TMS,isomer #2CC1=NOC(N([Si](C)(C)C)S(=O)(=O)C2=CC=C(N)C=C2)=C1C3702.1Standard polar33892256
Sulfisoxazole,2TMS,isomer #1CC1=NOC(N([Si](C)(C)C)S(=O)(=O)C2=CC=C(N[Si](C)(C)C)C=C2)=C1C2616.7Semi standard non polar33892256
Sulfisoxazole,2TMS,isomer #1CC1=NOC(N([Si](C)(C)C)S(=O)(=O)C2=CC=C(N[Si](C)(C)C)C=C2)=C1C2571.7Standard non polar33892256
Sulfisoxazole,2TMS,isomer #1CC1=NOC(N([Si](C)(C)C)S(=O)(=O)C2=CC=C(N[Si](C)(C)C)C=C2)=C1C3155.0Standard polar33892256
Sulfisoxazole,2TMS,isomer #2CC1=NOC(NS(=O)(=O)C2=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C1C2666.3Semi standard non polar33892256
Sulfisoxazole,2TMS,isomer #2CC1=NOC(NS(=O)(=O)C2=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C1C2611.2Standard non polar33892256
Sulfisoxazole,2TMS,isomer #2CC1=NOC(NS(=O)(=O)C2=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C1C3479.8Standard polar33892256
Sulfisoxazole,3TMS,isomer #1CC1=NOC(N([Si](C)(C)C)S(=O)(=O)C2=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C1C2568.7Semi standard non polar33892256
Sulfisoxazole,3TMS,isomer #1CC1=NOC(N([Si](C)(C)C)S(=O)(=O)C2=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C1C2719.4Standard non polar33892256
Sulfisoxazole,3TMS,isomer #1CC1=NOC(N([Si](C)(C)C)S(=O)(=O)C2=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C1C2989.2Standard polar33892256
Sulfisoxazole,1TBDMS,isomer #1CC1=NOC(NS(=O)(=O)C2=CC=C(N[Si](C)(C)C(C)(C)C)C=C2)=C1C3047.2Semi standard non polar33892256
Sulfisoxazole,1TBDMS,isomer #1CC1=NOC(NS(=O)(=O)C2=CC=C(N[Si](C)(C)C(C)(C)C)C=C2)=C1C2724.8Standard non polar33892256
Sulfisoxazole,1TBDMS,isomer #1CC1=NOC(NS(=O)(=O)C2=CC=C(N[Si](C)(C)C(C)(C)C)C=C2)=C1C3731.6Standard polar33892256
Sulfisoxazole,1TBDMS,isomer #2CC1=NOC(N([Si](C)(C)C(C)(C)C)S(=O)(=O)C2=CC=C(N)C=C2)=C1C2860.1Semi standard non polar33892256
Sulfisoxazole,1TBDMS,isomer #2CC1=NOC(N([Si](C)(C)C(C)(C)C)S(=O)(=O)C2=CC=C(N)C=C2)=C1C2652.4Standard non polar33892256
Sulfisoxazole,1TBDMS,isomer #2CC1=NOC(N([Si](C)(C)C(C)(C)C)S(=O)(=O)C2=CC=C(N)C=C2)=C1C3675.5Standard polar33892256
Sulfisoxazole,2TBDMS,isomer #1CC1=NOC(N([Si](C)(C)C(C)(C)C)S(=O)(=O)C2=CC=C(N[Si](C)(C)C(C)(C)C)C=C2)=C1C3145.8Semi standard non polar33892256
Sulfisoxazole,2TBDMS,isomer #1CC1=NOC(N([Si](C)(C)C(C)(C)C)S(=O)(=O)C2=CC=C(N[Si](C)(C)C(C)(C)C)C=C2)=C1C3035.0Standard non polar33892256
Sulfisoxazole,2TBDMS,isomer #1CC1=NOC(N([Si](C)(C)C(C)(C)C)S(=O)(=O)C2=CC=C(N[Si](C)(C)C(C)(C)C)C=C2)=C1C3248.2Standard polar33892256
Sulfisoxazole,2TBDMS,isomer #2CC1=NOC(NS(=O)(=O)C2=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2)=C1C3212.2Semi standard non polar33892256
Sulfisoxazole,2TBDMS,isomer #2CC1=NOC(NS(=O)(=O)C2=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2)=C1C3042.1Standard non polar33892256
Sulfisoxazole,2TBDMS,isomer #2CC1=NOC(NS(=O)(=O)C2=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2)=C1C3497.1Standard polar33892256
Sulfisoxazole,3TBDMS,isomer #1CC1=NOC(N([Si](C)(C)C(C)(C)C)S(=O)(=O)C2=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2)=C1C3322.7Semi standard non polar33892256
Sulfisoxazole,3TBDMS,isomer #1CC1=NOC(N([Si](C)(C)C(C)(C)C)S(=O)(=O)C2=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2)=C1C3418.2Standard non polar33892256
Sulfisoxazole,3TBDMS,isomer #1CC1=NOC(N([Si](C)(C)C(C)(C)C)S(=O)(=O)C2=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2)=C1C3173.2Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Sulfisoxazole GC-MS (Non-derivatized) - 70eV, Positivesplash10-0900-9730000000-37990b4248c5baa9e04d2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sulfisoxazole GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfisoxazole LC-ESI-qTof , Positive-QTOFsplash10-0a4i-5911100000-18e92b64e6fb25ed4e6d2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfisoxazole LC-ESI-QTOF , positive-QTOFsplash10-0a4i-3900000000-23eed4bc89bcf24079bd2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfisoxazole , positive-QTOFsplash10-0aor-1930000000-47a2d9042541d8f86f852017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfisoxazole , positive-QTOFsplash10-0a4i-2930000000-9fc0d3e8e143637637e82017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfisoxazole , positive-QTOFsplash10-0a4i-5911100000-18e92b64e6fb25ed4e6d2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfisoxazole 30V, Positive-QTOFsplash10-00dr-0950000000-f72ff7fcf12328285baa2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfisoxazole 90V, Negative-QTOFsplash10-03fr-9100000000-f9b4074ff0dbce87a4f12021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfisoxazole 75V, Negative-QTOFsplash10-08i0-9400000000-2ee13954a7c301283cde2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfisoxazole 45V, Negative-QTOFsplash10-00di-1920000000-5c4914f2b37d11a0b20d2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfisoxazole 90V, Positive-QTOFsplash10-03fr-9100000000-1fbacdbcfcd2419945ab2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfisoxazole 60V, Positive-QTOFsplash10-05fr-5900000000-1f2cdce7f1727b5849cb2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfisoxazole 60V, Negative-QTOFsplash10-05fr-5900000000-8f3543901af074ef0b8c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfisoxazole 45V, Positive-QTOFsplash10-00di-1920000000-1c6ddf7859a7d4c57dc72021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfisoxazole 30V, Negative-QTOFsplash10-00dr-0950000000-e80c5daa56061b8915872021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfisoxazole 15V, Negative-QTOFsplash10-014i-0390000000-7a0e174c86b909bba0c72021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfisoxazole 75V, Positive-QTOFsplash10-0aou-9700000000-fe3300abd7bed628067c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfisoxazole 90V, Positive-QTOFsplash10-066r-9400000000-92ddd6dff24e641609672021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfisoxazole 30V, Positive-QTOFsplash10-0a4i-0900000000-9cea617b589f13ee970f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfisoxazole 15V, Positive-QTOFsplash10-0a4i-0920000000-e05fbd5cf080af27accf2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfisoxazole 10V, Positive-QTOFsplash10-0gb9-0190000000-67fdd03c85b2a068b40a2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfisoxazole 20V, Positive-QTOFsplash10-0uxr-2390000000-541f0c03f60a901170c52016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfisoxazole 40V, Positive-QTOFsplash10-0uyi-9010000000-ed61e7aa315127ee534d2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfisoxazole 10V, Negative-QTOFsplash10-014i-0090000000-3fea2cb8533f6dac809a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfisoxazole 20V, Negative-QTOFsplash10-014i-9360000000-9a2a000e0d0fc02729a62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfisoxazole 40V, Negative-QTOFsplash10-0a4l-9800000000-4c399debcac1dfd41d872016-08-03Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00263 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00263 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00263
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID5151
KEGG Compound IDC07318
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkSulfisoxazole
METLIN IDNot Available
PubChem Compound5344
PDB IDNot Available
ChEBI ID102484
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 ReferencesNot Available

Enzymes

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. This enzyme contributes to the wide pharmacokinetics variability of the metabolism of drugs such as S-warfarin, diclofenac, phenytoin, tolbutamide and losartan.
Gene Name:
CYP2C9
Uniprot ID:
P11712
Molecular weight:
55627.365
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 ]