Search MNXref
 Feedback

3alpha,7alpha-Dihydroxy-5beta-cholest-23-en-26-oic acid

PropertiesImage
MNX_IDMNXM23596 Image of MNXM23596
referencechebi:190351
formulaC27H44O4
global charge0
mol weight432.645
InChIKeyHTHIXBFFDWLAFX-FGQCIORFSA-N
InChIInChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h5,7,16-24,28-29H,6,8-15H2,1-4H3,(H,30,31)/b7-5+/t16-,17?,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1
SMILESCC(/C=C/C[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]3CC[C@]12C)C(=O)O
MNX internals
InChI (mnx)InChI=1/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h5,7,16-24,28-29H,6,8-15H2,1-4H3,(H,30,31)/b7-5+/t16-,17?,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1 Image of MNXM23596
SMILES (mnx)[CH3:1][C@H:16]([CH2:6]/[CH:5]=[CH:7]/[CH:17]([CH3:2])[C:25](=[O:30])[OH:31])[C@H:20]1[CH2:8][CH2:9][C@H:21]2[C@H:24]3[C@H:22]([CH2:11][CH2:13][C@:27]12[CH3:4])[C@@:26]1([CH3:3])[CH2:12][CH2:10][C@@H:19]([OH:28])[CH2:14][C@H:18]1[CH2:15][C@H:23]3[OH:29]
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:190351
chebi:190351
HTHIXBFFDWLAFX-FGQCIORFSA-N 		3alpha,7alpha-Dihydroxy-5beta-cholest-23-en-26-oic acid
(E,6R)-6-[(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]-2-methylhept-3-enoic acid

lipidmaps:LMST04030060
lipidmapsM:LMST04030060
HTHIXBFFDWLAFX-FGQCIORFSA-N 		3alpha,7alpha-Dihydroxy-5beta-cholest-23-en-26-oic acid
O4
ST 27:2