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3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-Cholestan-26-oic acid

PropertiesImage
MNX_IDMNXM29792 Image of MNXM29792
referencechebi:187057
formulaC28H48O5
global charge0
mol weight464.687
InChIKeyKNFSIJCTWSWAOV-BIZJTFIWSA-N
InChIInChI=1S/C28H48O5/c1-15(17(3)26(32)33)6-7-16(2)20-8-9-21-25-22(14-24(31)28(20,21)5)27(4)11-10-19(29)12-18(27)13-23(25)30/h15-25,29-31H,6-14H2,1-5H3,(H,32,33)/t15?,16-,17?,18+,19-,20-,21+,22+,23-,24+,25+,27+,28-/m1/s1
SMILESCC(CC[C@@H](C)[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@H](O)[C@]12C)C(C)C(=O)O
MNX internals
InChI (mnx)InChI=1/C28H48O5/c1-15(17(3)26(32)33)6-7-16(2)20-8-9-21-25-22(14-24(31)28(20,21)5)27(4)11-10-19(29)12-18(27)13-23(25)30/h15-25,29-31H,6-14H2,1-5H3,(H,32,33)/t15?,16-,17?,18+,19-,20-,21+,22+,23-,24+,25+,27+,28-/m1/s1 Image of MNXM29792
SMILES (mnx)[CH3:1][CH:15]([CH2:6][CH2:7][C@@H:16]([CH3:2])[C@H:20]1[CH2:8][CH2:9][C@H:21]2[C@H:25]3[C@H:22]([CH2:14][C@H:24]([OH:31])[C@:28]12[CH3:5])[C@@:27]1([CH3:4])[CH2:11][CH2:10][C@@H:19]([OH:29])[CH2:12][C@H:18]1[CH2:13][C@H:23]3[OH:30])[CH:17]([CH3:3])[C:26](=[O:32])[OH:33]
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:187057
chebi:187057
KNFSIJCTWSWAOV-BIZJTFIWSA-N 		3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-Cholestan-26-oic acid
(6R)-2,3-dimethyl-6-[(3R,5S,7R,8R,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]heptanoic acid

lipidmaps:LMST04040002
lipidmapsM:LMST04040002
KNFSIJCTWSWAOV-BIZJTFIWSA-N 		3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-Cholestan-26-oic acid
O5
ST 28:1