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3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid

PropertiesImage
MNX_IDMNXM28602 Image of MNXM28602
referencechebi:186605
formulaC27H44O4
global charge0
mol weight432.645
InChIKeyICPKBNNULRZCMH-SVJCOMFJSA-N
InChIInChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)21-10-11-22-20-9-8-18-14-19(28)12-13-26(18,3)23(20)15-24(29)27(21,22)4/h7,16,18-24,28-29H,5-6,8-15H2,1-4H3,(H,30,31)/b17-7+/t16-,18-,19-,20+,21-,22+,23+,24+,26+,27-/m1/s1
SMILESC/C(=C\CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)O
MNX internals
InChI (mnx)InChI=1/C27H44O4/c1-16(6-5-7-17(2)25(30)31)21-10-11-22-20-9-8-18-14-19(28)12-13-26(18,3)23(20)15-24(29)27(21,22)4/h7,16,18-24,28-29H,5-6,8-15H2,1-4H3,(H,30,31)/b17-7+/t16-,18-,19-,20+,21-,22+,23+,24+,26+,27-/m1/s1 Image of MNXM28602
SMILES (mnx)[CH3:1][C@H:16]([CH2:6][CH2:5]/[CH:7]=[C:17](\[CH3:2])[C:25](=[O:30])[OH:31])[C@H:21]1[CH2:10][CH2:11][C@H:22]2[C@@H:20]3[CH2:9][CH2:8][C@@H:18]4[CH2:14][C@H:19]([OH:28])[CH2:12][CH2:13][C@:26]4([CH3:3])[C@H:23]3[CH2:15][C@H:24]([OH:29])[C@:27]12[CH3:4]
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:186605
chebi:186605
ICPKBNNULRZCMH-SVJCOMFJSA-N 		3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid
(E,6R)-6-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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]-2-methylhept-2-enoic acid

lipidmaps:LMST04030143
lipidmapsM:LMST04030143
ICPKBNNULRZCMH-SVJCOMFJSA-N 		3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid
O4
ST 27:2