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5alpha-Cholest-25-ene-3alpha,7alpha,12alpha,26-tetrol

PropertiesImage
MNX_IDMNXM22745 Image of MNXM22745
referencechebi:184783
formulaC27H46O4
global charge0
mol weight434.661
InChIKeyNNGGTBKKGNUHML-AVIVXOQHSA-N
InChIInChI=1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h15,17-25,28-31H,5-14H2,1-4H3/b16-15+/t17-,18-,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILESC/C(=C\O)CCC[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
MNX internals
InChI (mnx)InChI=1/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h15,17-25,28-31H,5-14H2,1-4H3/b16-15+/t17-,18-,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1 Image of MNXM22745
SMILES (mnx)[CH3:1]/[C:16]([CH2:6][CH2:5][CH2:7][C@@H:17]([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@:27]12[CH3:4])[C@@:26]1([CH3:3])[CH2:11][CH2:10][C@@H:19]([OH:29])[CH2:12][C@@H:18]1[CH2:13][C@H:23]3[OH:30])=[CH:15]\[OH:28]
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:184783
chebi:184783
NNGGTBKKGNUHML-AVIVXOQHSA-N 		5alpha-Cholest-25-ene-3alpha,7alpha,12alpha,26-tetrol
(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(E,2R)-7-hydroxy-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol

lipidmaps:LMST04030088
lipidmapsM:LMST04030088
NNGGTBKKGNUHML-AVIVXOQHSA-N 		5alpha-Cholest-25-ene-3alpha,7alpha,12alpha,26-tetrol
O4
ST 27:1