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2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholestan-26-oic acid

PropertiesImage
MNX_IDMNXM28088 Image of MNXM28088
referencechebi:185115
formulaC27H46O6
global charge0
mol weight466.659
InChIKeyCGPYXOCZBMZIIR-GSDIULEPSA-N
InChIInChI=1S/C27H46O6/c1-14(6-5-7-15(2)25(32)33)17-8-9-18-24-19(12-23(31)27(17,18)4)26(3)13-22(30)20(28)10-16(26)11-21(24)29/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14-,15?,16+,17-,18+,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1
SMILESCC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)[C@@H](O)C[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)O
MNX internals
InChI (mnx)InChI=1/C27H46O6/c1-14(6-5-7-15(2)25(32)33)17-8-9-18-24-19(12-23(31)27(17,18)4)26(3)13-22(30)20(28)10-16(26)11-21(24)29/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14-,15?,16+,17-,18+,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1 Image of MNXM28088
SMILES (mnx)[CH3:1][C@H:14]([CH2:6][CH2:5][CH2:7][CH:15]([CH3:2])[C:25](=[O:32])[OH:33])[C@H:17]1[CH2:8][CH2:9][C@H:18]2[C@H:24]3[C@H:19]([CH2:12][C@H:23]([OH:31])[C@:27]12[CH3:4])[C@@:26]1([CH3:3])[CH2:13][C@H:22]([OH:30])[C@@H:20]([OH:28])[CH2:10][C@H:16]1[CH2:11][C@H:21]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:185115
chebi:185115
CGPYXOCZBMZIIR-GSDIULEPSA-N 		2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholestan-26-oic acid
(6R)-2-methyl-6-[(2S,3S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-2,3,7,12-tetrahydroxy-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:LMST04030042
lipidmapsM:LMST04030042
CGPYXOCZBMZIIR-GSDIULEPSA-N 		2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholestan-26-oic acid
O6
ST 27:1