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Cholates Salts and esters of CHOLIC ACID.
[1. A salt or ester of a cholic acid.
pre_formula_key( "InChIKey=BHQCQFFYRZLCQQ-BNIUDGGUDS", "jqp050/5460314.html" ); ?>
pre_formula( "InChI=1/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1/fC24H39O5/q-1", "jqp050/5460314.html" ); ?>
Molecular Formula:
C24H39O5-
InChI: InChI=1/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1/fC24H39O5/q-1
InChIKey: InChIKey=BHQCQFFYRZLCQQ-BNIUDGGUDS
SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@]([H])(CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC([O-])=O
Names:
CHEBI:29747
cholate
(4R)-4-[(3R,5S,7R,8S,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]pentanoate
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate
3α,7α,12α-trihydroxy-5β-cholanate
name_it( "InChI=1/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1/fC24H39O5/q-1", "jqp050/5460314.html" ); ?>
Registries:
pre_registry_key( "InChI=1/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1/fC24H39O5/q-1", "InChIKey=BHQCQFFYRZLCQQ-BNIUDGGUDS", "jqp050/5460314.html" ); ?>
PubChem CID 5460314
ChEBI 29747
PubChem ID 8145411
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require_once( "../ads.include" ); ?>
pre_related( "InChI=1/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1/fC24H39O5/q-1", "jqp050/5460314.html" ); ?>