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Glycodeoxycholic acid

  • Formula: C26H43NO5

  • Molecular weight: 449.60

  • Smiles: CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

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Glycodeoxycholic acid

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Glycodeoxycholic acid

  • First synonym: Glycodeoxycholic acid

  • Synonyms: glycodeoxycholic acid,Glycodeoxycholate,Deoxycholylglycine,360-65-6,Glycodesoxycholic acid,GDCA,Deoxycholic acid glycine conjugate,UNII-DS124M0828,CHEMBL258605,CHEBI:27471,Glycine, N-[(3a,5b,12a)-3,12-dihydroxy-24-oxocholan-24-yl]-,DS124M0828,N-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)glycine,Deoxyglycocholic acid,Glycyldeoxycholic acid,Glykodesoxycholsaeure,Glykodesoxycholsaeure [German],Glycine, N-((3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl)-,Glykodesoxycholsaure,5-beta-Cholan-24-oic acid, glycodeoxy-,Cholane, glycine deriv.,Spectrum5_002013,bmse000644,GLYCODEOXYCHOLIC_ACID,SCHEMBL24841,GTPL4714,Glycine, N-[(3.alpha.,5.beta.,12.alpha.)-3,12-dihydroxy-24-oxocholan-24-yl]-,ZINC8837267,BDBM50375587,LMST05030006,STL565143,AKOS025290392,2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid,HY-125731,CS-0093438,C05464,F20550,G-5420,360G656,Q5572601,3alpha,12alpha-Dihydroxy-5beta-cholan-24-oylglycine,BRD-K68144790-001-01-2,N-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)-glycine,GLYCINE, N-(3-alpha,12-alpha-DIHYDROXY-5-beta-CHOLAN-24-YL)-,Glycine, N-(3.alpha.,12.alpha.-dihydroxy-5.beta.-cholan-24-oyl)-,5.beta.-Cholan-24-amide, N-(carboxymethyl)-3.alpha.,12.alpha.-dihydroxy-,N-[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]glycine,N-((3-alpha,5-beta,12-alpha)-3,12-Dihydroxy-24-oxocholan-24-yl)-glycine (9CI),2-[(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R,16S)-5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid

Identifiers / External links

Structure

  • Smiles: CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

  • Isomeric smiles: C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

  • Inchi: InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1

  • Inchikey: WVULKSPCQVQLCU-BUXLTGKBSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C26H43NO5

  • Molecular weight: 449.60

  • Monoisotopic mass: 449.31412347

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