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3alpha,7beta-Dihydroxy-5beta-chol-11-en-24-oic Acid

PropertiesImage
MNX_IDMNXM28500 Image of MNXM28500
referencechebi:196600
formulaC24H38O4
global charge0
mol weight390.564
InChIKeyKHMDWPNMFSMERZ-UZVSRGJWSA-N
InChIInChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h9,11,14-20,22,25-26H,4-8,10,12-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1
SMILESC[C@H](CCC(=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]3C=C[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h9,11,14-20,22,25-26H,4-8,10,12-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1 Image of MNXM28500
SMILES (mnx)[CH3:1][C@H:14]([CH2:4][CH2:7][C:21](=[O:27])[OH:28])[C@H:17]1[CH2:5][CH2:6][C@H:18]2[C@H:22]3[C@H:19]([CH:9]=[CH:11][C@:24]12[CH3:3])[C@@:23]1([CH3:2])[CH2:10][CH2:8][C@@H:16]([OH:25])[CH2:12][C@H:15]1[CH2:13][C@@H:20]3[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:196600
chebi:196600
KHMDWPNMFSMERZ-UZVSRGJWSA-N 		3alpha,7beta-Dihydroxy-5beta-chol-11-en-24-oic Acid
(4R)-4-[(3R,5S,7S,8S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

lipidmaps:LMST04010298
lipidmapsM:LMST04010298
KHMDWPNMFSMERZ-UZVSRGJWSA-N 		3alpha,7beta-Dihydroxy-5beta-chol-11-en-24-oic Acid
O4
ST 24:2