hyocholic acid

chemical compound

Wikidata entity: Q27155186

C₂₄H₄₀O₅ (P274)




Quantities

P2067mass408.287574

P233 canonical SMILES String CC(CCC(=O)O)C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C ???
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C ???
P3364 stereoisomer of ... Q113947811 ((4R)-4-[(3R,5S,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-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]pentanoic acid) (4R)-4-[(3R,5S,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-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]pentanoic acid
P3364 stereoisomer of ... Q123342888 (3alpha,6beta,7alpha-Trihydroxy-5alpha-cholan-24-oic Acid) 3alpha,6beta,7alpha-Trihydroxy-5alpha-cholan-24-oic Acid
P3364 stereoisomer of ... Q27155185 (alpha-muricholic acid) alpha-muricholic acid
P3364 stereoisomer of ... Q27155232 (beta-muricholic acid) beta-muricholic acid
P3364 stereoisomer of ... Q27155233 (omega-muricholic acid) omega-muricholic acid
P3364 stereoisomer of ... Q63392644 ((4R)-4-[(3S,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6,7-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]pentanoic acid) (4R)-4-[(3S,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6,7-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]pentanoic acid
P3364 stereoisomer of ... Q63392645 ((4R)-4-[(3R,5S,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-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]pentanoic acid) (4R)-4-[(3R,5S,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-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]pentanoic acid
P3364 stereoisomer of ... Q63392646 (3beta,6alpha,7alpha-trihydroxy-5beta-cholan-24-oic acid) 3beta,6alpha,7alpha-trihydroxy-5beta-cholan-24-oic acid
P3364 stereoisomer of ... Q63392647 ((4R)-4-[(3S,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-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]pentanoic acid) (4R)-4-[(3S,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-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]pentanoic acid
P3364 stereoisomer of ... Q63392648 ((4R)-4-[(3S,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-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]pentanoic acid) (4R)-4-[(3S,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-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]pentanoic acid
P3364 stereoisomer of ... Q63392649 ((4R)-4-[(3R,5S,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-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]pentanoic acid) (4R)-4-[(3R,5S,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-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]pentanoic acid
P3364 stereoisomer of ... Q106039257 (muricholic acids) muricholic acids
P279 subclass of ... Q143623 (sterol) sterol

External Ids
P231CAS Registry Number547-75-1
P683ChEBI ID81244
P592ChEMBL IDCHEMBL1908063
P661ChemSpider ID83777
P3117DSSTox substance IDDTXSID20862167
P232EC number208-935-8
P2566ECHA Substance Infocard ID100.008.124
P2671Google Knowledge Graph ID/g/11fj7hv5fv
P2057Human Metabolome Database IDHMDB0000760
P234InChIInChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1
P235InChIKeyDKPMWHFRUGMUKF-KWXDGCAGSA-N
P665KEGG IDC17649
P2063LIPID MAPS IDLMST04010064
P6689MassBank accession IDMSBNK-BGC_Munich-RP026701
P6689MassBank accession IDMSBNK-BGC_Munich-RP026702
P6689MassBank accession IDMSBNK-BGC_Munich-RP026703
P6689MassBank accession IDMSBNK-Nihon_Univ-NU000481
P6689MassBank accession IDMSBNK-Nihon_Univ-NU000482
P6689MassBank accession IDMSBNK-Nihon_Univ-NU000483
P6689MassBank accession IDMSBNK-Nihon_Univ-NU000484
P6689MassBank accession IDMSBNK-Nihon_Univ-NU000485
P11199Probes And Drugs IDPD057569
P662PubChem CID92805
P4964SPLASHsplash10-014i-9100100000-afed65bafb1ef012d8a6
P4964SPLASHsplash10-052r-1010900020-b1f4101e7ad30a7b2fdb
P4964SPLASHsplash10-0a4r-0001910000-057e298551e821d5d9b9
P4964SPLASHsplash10-0ap0-5110900020-18b73529a35650526a4c
P2877SureChEMBL ID4128132
P11089UniChem compound ID1073585
P652UNII2H5H0Q47FL

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