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3alpha,9alpha-Dihydroxy-11-oxo-5beta-cholan-24-oic Acid

PropertiesImage
MNX_IDMNXM23626 Image of MNXM23626
referencechebi:176412
formulaC24H38O5
global charge0
mol weight406.563
InChIKeyUGIYNEUNLPMQNC-QLIMCPMHSA-N
InChIInChI=1S/C24H38O5/c1-14(4-9-21(27)28)17-7-8-18-19-6-5-15-12-16(25)10-11-23(15,3)24(19,29)20(26)13-22(17,18)2/h14-19,25,29H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17-,18+,19+,22-,23+,24+/m1/s1
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@]3(O)C(=O)C[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H38O5/c1-14(4-9-21(27)28)17-7-8-18-19-6-5-15-12-16(25)10-11-23(15,3)24(19,29)20(26)13-22(17,18)2/h14-19,25,29H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17-,18+,19+,22-,23+,24+/m1/s1 Image of MNXM23626
SMILES (mnx)[CH3:1][C@H:14]([CH2:4][CH2:9][C:21](=[O:27])[OH:28])[C@H:17]1[CH2:7][CH2:8][C@H:18]2[C@@H:19]3[CH2:6][CH2:5][C@@H:15]4[CH2:12][C@H:16]([OH:25])[CH2:10][CH2:11][C@:23]4([CH3:3])[C@@:24]3([OH:29])[C:20](=[O:26])[CH2:13][C@:22]12[CH3:2]
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:176412
chebi:176412
UGIYNEUNLPMQNC-QLIMCPMHSA-N 		3alpha,9alpha-Dihydroxy-11-oxo-5beta-cholan-24-oic Acid
(4R)-4-[(3R,5R,8S,9R,10S,13R,14S,17R)-3,9-dihydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

lipidmaps:LMST04010291
lipidmapsM:LMST04010291
UGIYNEUNLPMQNC-QLIMCPMHSA-N 		3alpha,9alpha-Dihydroxy-11-oxo-5beta-cholan-24-oic Acid
O5
ST 24:2