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

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5,6beta-epoxy-5beta-cholestan-3beta-ol

	Properties	Image
MNX_ID	MNXM3504
reference	chebi:28164
formula	C₂₇H₄₆O₂
global charge	0
mol weight	402.663
InChIKey	PRYIJAGAEJZDBO-DTLXENBRSA-N
InChI	InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1
SMILES	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C

MNX internals

InChI (mnx)	InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,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:20]3[CH2:15][C@@H:24]4[C@@:27]5([CH2:16][C@@H:19]([OH:28])[CH2:11][CH2:14][C@:26]5([CH3:5])[C@H:23]3[CH2:12][CH2:13][C@:25]12[CH3:4])[O:29]4

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-3221857 reactomeM:R-ALL-3221857 reactome:R-ALL-3221926 reactomeM:R-ALL-3221926 CHEBI:28164 chebi:28164 PRYIJAGAEJZDBO-DTLXENBRSA-N	5,6beta-epoxy-5beta-cholestan-3beta-ol (3-beta,5-beta,6-beta)-5,6-Epoxycholestan-3-ol 5,6beta-Epoxy-5beta-cholestan-3beta-ol 5,6beta-epoxy-cholesterol 5,beta6beta-epoxy-cholestan-3beta-ol 5beta,6beta-Epoxycholestan-3beta-ol Cholesterol-5beta,6beta-epoxide cholesterol beta-epoxide
metacyc.compound:CPD-8897 metacycM:CPD-8897 PRYIJAGAEJZDBO-DTLXENBRSA-N	5,6-beta-epoxy-5-beta-cholestan-3-beta-ol 5beta-6beta-Epoxycholestan-3beta-ol Cholesterol-5beta,6beta-epoxide
lipidmaps:LMST01010009 lipidmapsM:LMST01010009 PRYIJAGAEJZDBO-DTLXENBRSA-N	5,6beta-epoxy-cholesterol(d7) 5,6beta-epoxy-5beta-cholestan-3beta-ol(d7)
lipidmaps:LMST01010010 lipidmapsM:LMST01010010 PRYIJAGAEJZDBO-DTLXENBRSA-N	5beta,6beta-epoxy-cholesterol 5beta,6beta-epoxy-cholestan-3beta-ol 5beta,6beta-epoxy-cholestanol O2 ST 27:1
seed.compound:cpd03209 seedM:cpd03209 PRYIJAGAEJZDBO-DTLXENBRSA-N	Cholesterol-5beta,6beta-epoxide 5,6-beta-epoxy-5-beta-cholestan-3-beta-ol 5,6beta-Epoxy-5beta-cholestan-3beta-ol 5beta,6beta-Epoxycholestan-3beta-ol 5beta-6beta-Epoxycholestan-3beta-ol
kegg.compound:C05418 keggC:C05418 PRYIJAGAEJZDBO-DTLXENBRSA-N	Cholesterol-5beta,6beta-epoxide 5,6beta-Epoxy-5beta-cholestan-3beta-ol 5beta,6beta-Epoxycholestan-3beta-ol
chebi:23207 chebi:3662 keggC:M_C05418 seedM:M_cpd03209	secondary/obsolete/fantasy identifier