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(24S)-7alpha,24-dihydroxy-5beta-cholestan-3-one

PropertiesImage
MNX_IDMNXM30756 Image of MNXM30756
referencechebi:63829
formulaC27H46O3
global charge0
mol weight418.662
InChIKeyFGKQZAUZOBFLBY-SYDAVTRCSA-N
InChIInChI=1S/C27H46O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18+,20-,21+,22+,23+,24-,25+,26+,27-/m1/s1
SMILESCC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H46O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18+,20-,21+,22+,23+,24-,25+,26+,27-/m1/s1 Image of MNXM30756
SMILES (mnx)[CH3:1][CH:16]([CH3:2])[C@H:23]([CH2:9][CH2:6][C@@H:17]([CH3:3])[C@H:20]1[CH2:7][CH2:8][C@H:21]2[C@H:25]3[C@H:22]([CH2:11][CH2:13][C@:27]12[CH3:5])[C@@:26]1([CH3:4])[CH2:12][CH2:10][C:19](=[O:28])[CH2:14][C@H:18]1[CH2:15][C@H:24]3[OH:30])[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

reactome:R-ALL-193760
reactomeM:R-ALL-193760
CHEBI:63829
chebi:63829
FGKQZAUZOBFLBY-SYDAVTRCSA-N 		(24S)-7alpha,24-dihydroxy-5beta-cholestan-3-one
5beta-cholestan-7alpha,24(S)-diol-3-one
hmdb:HMDB0062419
FGKQZAUZOBFLBY-YUOMIZQASA-N 		7alpha,24-dihydroxy-5beta-cholestan-3-one
(1S,2S,7R,9R,10R,11S,14R,15R)-9-hydroxy-14-[(2R)-5-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-one
5b-Cholestan-7a,24-diol-3-one
5beta-Cholestan-7alpha,24-diol-3-one
5beta-cholestan-7alpha,24-diol-3-one
7a,24-Dihydroxy-5b-cholestan-3-one

CHEBI:48698
chebi:48698
FGKQZAUZOBFLBY-YUOMIZQASA-N 		7alpha,24-dihydroxy-5beta-cholestan-3-one
5beta-cholestan-7alpha,24-diol-3-one
7alpha,24alpha-dihydroxy-5beta-cholestan-3-one

lipidmaps:LMST04030169
lipidmapsM:LMST04030169
FGKQZAUZOBFLBY-YUOMIZQASA-N 		7alpha,24-dihydroxy-5beta-cholestan-3-one
5beta-cholestan-7alpha,24-diol-3-one
7alpha,24alpha-dihydroxy-5beta-cholestan-3-one
O3
ST 27:1

hmdb:HMDB62419 		secondary/obsolete/fantasy identifier