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Glycocholic acid

  • Formula: C26H43NO6

  • Molecular weight: 465.60

  • Smiles: CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

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Glycocholic acid

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

Names

  • Mycotoxin name: Glycocholic acid

  • First synonym: Glycocholic acid

  • Synonyms: Glycocholic acid,475-31-0,glycocholate,Cholylglycine,N-Choloylglycine,Glycine, N-choloyl-,UNII-G59NX3I3RT,Glycine, N-[(3a,5b,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]-,N-CHOLYLGLYCINE,G59NX3I3RT,Glycocholic acid hydrate,CHEMBL411070,CHEBI:17687,3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oylglycine,C26H43NO6,N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycine,N-(3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholan-24-oyl)-glycine,N-((3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl)glycine,N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine,2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid,GCH,MFCD06408004,2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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,Glycylcholate,MFCD00065902,Glycylcholic acid,N-choloyl-Glycine,CAS-475-31-0,Prestwick_768,EINECS 207-494-9,Prestwick0_000521,Prestwick1_000521,Prestwick2_000521,Prestwick3_000521,Spectrum5_002011,bmse000651,Glycocholic acid, free acid,DSSTox_CID_27436,DSSTox_RID_82346,BIDD:PXR0160,DSSTox_GSID_47436,Glycoreductodehydrocholic acid,SCHEMBL29022,BSPBio_000501,MLS002153857,SPBio_002422,BPBio1_000553,GTPL4544,DTXSID2047436,3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid N-(carboxymethyl)amide,HMS1569J03,HMS2096J03,HMS2231A05,N-(3-alpha,7-alpha,12-alpha-Trihydroxycholan-24-oyl)glycine,HY-N1423,N-(Carboxymethyl)-3alpha,7alpha,12alpha-trihydroxyglycine cholate,ZINC8143774,Tox21_302549,BDBM50375589,LMST05030001,s4958,STL565148,AKOS015965042,CCG-269413,CS-W020037,DS-0968,NCGC00163115-02,NCGC00256646-01,AC-30905,M538,SMR001233215,ST51037266,3a,7a,12a-Trihydroxy-5b-cholan-24-oylglycine,C01921,G-5270,475G310,A827264,3a,7a,12a-Trihydroxy-5b-cholanic acid-24-glycine,Q2701638,BRD-K54771420-001-03-2,UNII-JIY1ILR284 component RFDAIACWWDREDC-FRVQLJSFSA-N,[(3,7,12-Trihydroxy-24-oxocholan-24-yl)amino]acetic acid #,3a,7a,12a-Trihydroxy-N-(carboxymethyl)-5b-cholan-24-amide,N-(carboxymethyl)-3a,7a,12a-trihydroxy-5b-Cholan-24-amide,5beta-Cholanic acid-3alpha,7alpha,12alpha-triol N-(carboxymethyl)-amide,N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine,N-[(3beta,5beta,7beta,9beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine,((R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycine;Glycocholic acid,2-[(4R)-4-((1S,2S,7S,11S,16S,5R,9R,10R,14R,15R)-5,9,16-trihydroxy-2,15-dimethy ltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoylamino]acetic acid,2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0?,?.0??,??]heptadecan-14-yl]pentanamido]acetic acid

Identifiers / External links

Structure

  • Smiles: CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)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]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

  • Inchi: InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1

  • Inchikey: RFDAIACWWDREDC-FRVQLJSFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C26H43NO6

  • Molecular weight: 465.60

  • Monoisotopic mass: 465.30903809

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