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(23R)-3alpha,5beta,7alpha,23-Tetrahydroxycholan-24-oic Acid

PropertiesImage
MNX_IDMNXM24873 Image of MNXM24873
referencechebi:184945
formulaC24H40O6
global charge0
mol weight424.578
InChIKeyHWMAQRANSTVMQX-BVOOHUNKSA-N
InChIInChI=1S/C24H40O6/c1-13(10-18(26)21(28)29)15-4-5-16-20-17(7-8-22(15,16)2)23(3)9-6-14(25)11-24(23,30)12-19(20)27/h13-20,25-27,30H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16+,17+,18-,19-,20+,22-,23-,24-/m1/s1
SMILESC[C@H](C[C@@H](O)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H40O6/c1-13(10-18(26)21(28)29)15-4-5-16-20-17(7-8-22(15,16)2)23(3)9-6-14(25)11-24(23,30)12-19(20)27/h13-20,25-27,30H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16+,17+,18-,19-,20+,22-,23-,24-/m1/s1 Image of MNXM24873
SMILES (mnx)[CH3:1][C@H:13]([CH2:10][C@H:18]([C:21](=[O:28])[OH:29])[OH:26])[C@H:15]1[CH2:4][CH2:5][C@H:16]2[C@H:20]3[C@H:17]([CH2:7][CH2:8][C@:22]12[CH3:2])[C@@:23]1([CH3:3])[CH2:9][CH2:6][C@@H:14]([OH:25])[CH2:11][C@@:24]1([OH:30])[CH2:12][C@H:19]3[OH:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:184945
chebi:184945
HWMAQRANSTVMQX-BVOOHUNKSA-N 		(23R)-3alpha,5beta,7alpha,23-Tetrahydroxycholan-24-oic Acid
(2R,4R)-2-hydroxy-4-[(3R,5R,7R,8S,9S,10R,13R,14S,17R)-3,5,7-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

lipidmaps:LMST04010420
lipidmapsM:LMST04010420
HWMAQRANSTVMQX-BVOOHUNKSA-N 		(23R)-3alpha,5beta,7alpha,23-Tetrahydroxycholan-24-oic Acid
O6
ST 24:1