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(22R)-3alpha,7alpha,22-Trihydroxy-5beta-cholan-24-oic Acid

PropertiesImage
MNX_IDMNXM29882 Image of MNXM29882
referencechebi:184528
formulaC24H40O5
global charge0
mol weight408.579
InChIKeyIPSHXEXQGICLQN-IDIMTOGTSA-N
InChIInChI=1S/C24H40O5/c1-13(19(26)12-21(28)29)16-4-5-17-22-18(7-9-24(16,17)3)23(2)8-6-15(25)10-14(23)11-20(22)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18-,19+,20+,22-,23-,24+/m0/s1
SMILESC[C@H]([C@H](O)CC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H40O5/c1-13(19(26)12-21(28)29)16-4-5-17-22-18(7-9-24(16,17)3)23(2)8-6-15(25)10-14(23)11-20(22)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18-,19+,20+,22-,23-,24+/m0/s1 Image of MNXM29882
SMILES (mnx)[CH3:1][C@@H:13]([C@H:16]1[CH2:4][CH2:5][C@H:17]2[C@H:22]3[C@H:18]([CH2:7][CH2:9][C@:24]12[CH3:3])[C@@:23]1([CH3:2])[CH2:8][CH2:6][C@@H:15]([OH:25])[CH2:10][C@H:14]1[CH2:11][C@H:20]3[OH:27])[C@@H:19]([CH2:12][C:21](=[O:28])[OH:29])[OH:26]
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:184528
chebi:184528
IPSHXEXQGICLQN-IDIMTOGTSA-N 		(22R)-3alpha,7alpha,22-Trihydroxy-5beta-cholan-24-oic Acid
(3R,4S)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]-3-hydroxypentanoic acid

lipidmaps:LMST04010100
lipidmapsM:LMST04010100
IPSHXEXQGICLQN-IDIMTOGTSA-N 		(22R)-3alpha,7alpha,22-Trihydroxy-5beta-cholan-24-oic Acid
O5
ST 24:1