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3alpha,7alpha,12alpha,16alpha-Tetrahydroxy-5beta-cholestan-26-oic acid

PropertiesImage
MNX_IDMNXM36896 Image of MNXM36896
referencechebi:193260
formulaC27H46O6
global charge0
mol weight466.659
InChIKeyRZONGASFCUAARL-FQOXINNRSA-N
InChIInChI=1S/C27H46O6/c1-14(6-5-7-15(2)25(32)33)24-21(30)12-19-23-18(13-22(31)27(19,24)4)26(3)9-8-17(28)10-16(26)11-20(23)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]1[C@H](O)C[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(=O)O
MNX internals
InChI (mnx)InChI=1/C27H46O6/c1-14(6-5-7-15(2)25(32)33)24-21(30)12-19-23-18(13-22(31)27(19,24)4)26(3)9-8-17(28)10-16(26)11-20(23)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 MNXM36896
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:24]1[C@H:21]([OH:30])[CH2:12][C@H:19]2[C@H:23]3[C@H:18]([CH2:13][C@H:22]([OH:31])[C@@:27]21[CH3:4])[C@@:26]1([CH3:3])[CH2:9][CH2:8][C@@H:17]([OH:28])[CH2:10][C@H:16]1[CH2:11][C@H:20]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:193260
chebi:193260
RZONGASFCUAARL-FQOXINNRSA-N 		3alpha,7alpha,12alpha,16alpha-Tetrahydroxy-5beta-cholestan-26-oic acid
(6R)-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13S,14S,16R,17R)-3,7,12,16-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:LMST04030210
lipidmapsM:LMST04030210
RZONGASFCUAARL-FQOXINNRSA-N 		3alpha,7alpha,12alpha,16alpha-Tetrahydroxy-5beta-cholestan-26-oic acid
3alpha,7alpha,12alpha,16alpha-Tetrahydroxy-5beta-cholestan-26-oic acid
O6
ST 27:1