MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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7alpha-hydroxy-5beta-cholestan-3-one

MNXM728194 is deprecated and replaced by MNXM728193

	Properties	Image
MNX_ID	MNXM728193
reference	chebi:2290
formula	C₂₇H₄₆O₂
global charge	0
mol weight	402.663
InChIKey	HWOOALPDOJHOPO-YREUSXKVSA-N
InChI	InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-19,21-25,29H,6-16H2,1-5H3/t18-,19+,21-,22+,23+,24-,25+,26+,27-/m1/s1
SMILES	CC(C)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/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-19,21-25,29H,6-16H2,1-5H3/t18-,19+,21-,22+,23+,24-,25+,26+,27-/m1/s1
SMILES (mnx)	[CH3:1][CH:17]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:18]([CH3:3])[C@H:21]1[CH2:9][CH2:10][C@H:22]2[C@H:25]3[C@H:23]([CH2:12][CH2:14][C@:27]12[CH3:5])[C@@:26]1([CH3:4])[CH2:13][CH2:11][C:20](=[O:28])[CH2:15][C@H:19]1[CH2:16][C@H:24]3[OH:29]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-191980 reactomeM:R-ALL-191980 CHEBI:2290 chebi:2290 HWOOALPDOJHOPO-YREUSXKVSA-N	7alpha-hydroxy-5beta-cholestan-3-one 5beta-Cholestan-7alpha-ol-3-one 5beta-cholestan-7alpha-ol-3-one 7alpha-Hydroxy-5beta-cholestan-3-one
bigg.metabolite:xol7ah biggM:xol7ah sabiork.compound:7923 sabiorkM:7923 HWOOALPDOJHOPO-YREUSXKVSA-N	7alpha-Hydroxy-5beta-cholestan-3-one
kegg.compound:C05451 keggC:C05451 HWOOALPDOJHOPO-YREUSXKVSA-N	7alpha-Hydroxy-5beta-cholestan-3-one 5beta-Cholestan-7alpha-ol-3-one
seed.compound:cpd03234 seedM:cpd03234 HWOOALPDOJHOPO-YREUSXKVSA-N	7alpha-Hydroxy-5beta-cholestan-3-one 5beta-Cholestan-7alpha-ol-3-one 7alpha-hydroxy-5beta-cholestan-3-one
lipidmaps:LMST04030112 lipidmapsM:LMST04030112 HWOOALPDOJHOPO-YREUSXKVSA-N	7alpha-Hydroxy-5beta-cholestan-3-one O2 ST 27:1
metacyc.compound:CPD-10548 metacycM:CPD-10548 SLM:000485677 slm:000485677 HWOOALPDOJHOPO-YREUSXKVSA-N	7alpha-hydroxy-5beta-cholestan-3-one
vmhM:xol7ah vmhmetabolite:xol7ah HWOOALPDOJHOPO-NGMNZZBYSA-N	7alpha-hydroxy-5beta-cholestan-3-one (2S,9S,15R)-9-hydroxy-2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one
biggM:M_xol7ah keggC:M_C05451 seedM:M_cpd03234 vmhM:M_xol7ah	secondary/obsolete/fantasy identifier