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7alpha,26-dihydroxy-5beta-cholestan-3-one

PropertiesImage
MNX_IDMNXM39204 Image of MNXM39204
referencechebi:48778
formulaC27H46O3
global charge0
mol weight418.662
InChIKeyHXGWUGDCIVSGLK-QOXJXTBWSA-N
InChIInChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h17-19,21-25,28,30H,5-16H2,1-4H3/t17?,18-,19+,21-,22+,23+,24-,25+,26+,27-/m1/s1
SMILESCC(CO)CCC[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/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h17-19,21-25,28,30H,5-16H2,1-4H3/t17?,18-,19+,21-,22+,23+,24-,25+,26+,27-/m1/s1 Image of MNXM39204
SMILES (mnx)[CH3:1][CH:17]([CH2:6][CH2:5][CH2:7][C@@H:18]([CH3:2])[C@H:21]1[CH2:8][CH2:9][C@H:22]2[C@H:25]3[C@H:23]([CH2:11][CH2:13][C@:27]12[CH3:4])[C@@:26]1([CH3:3])[CH2:12][CH2:10][C:20](=[O:29])[CH2:14][C@H:19]1[CH2:15][C@H:24]3[OH:30])[CH2:16][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

reactome:R-ALL-193830
reactomeM:R-ALL-193830
CHEBI:48778
chebi:48778
HXGWUGDCIVSGLK-QOXJXTBWSA-N 		7alpha,26-dihydroxy-5beta-cholestan-3-one
5beta-cholestan-7alpha,26-diol-3-one
5beta-cholestan-7alpha,27-diol-3-one
hmdb:HMDB0062420
HXGWUGDCIVSGLK-QOXJXTBWSA-N 		7alpha,26-dihydroxy-5beta-cholestan-3-one
(1S,2S,7R,9R,10R,11S,14R,15R)-9-hydroxy-14-[(2R)-7-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-one
5b-Cholestan-7a,26-diol-3-one
5b-Cholestan-7a,27-diol-3-one
5beta-Cholestan-7alpha,26-diol-3-one
5beta-Cholestan-7alpha,27-diol-3-one
5beta-cholestan-7alpha,26-diol-3-one
5beta-cholestan-7alpha,27-diol-3-one
7a,26-Dihydroxy-5b-cholestan-3-one

lipidmaps:LMST04030156
lipidmapsM:LMST04030156
HXGWUGDCIVSGLK-QOXJXTBWSA-N 		7alpha,26-dihydroxy-5beta-cholestan-3-one
5beta-cholestan-7alpha,26-diol-3-one
7alpha,26-dihydroxy-5beta-cholestan-3-one
O3
ST 27:1

hmdb:HMDB62420 		secondary/obsolete/fantasy identifier