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

PropertiesImage
MNX_IDMNXM3503 Image of MNXM3503
referencechebi:49305
formulaC27H46O2
global charge0
mol weight402.663
InChIKeyPRYIJAGAEJZDBO-ZEQHCUNVSA-N
InChIInChI=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
SMILESCC(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 Image of MNXM3503
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)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:49305
chebi:49305
PRYIJAGAEJZDBO-ZEQHCUNVSA-N 		5,6alpha-epoxy-5alpha-cholestan-3beta-ol
5,6alpha epoxy-cholesterol
5,6alpha-Epoxy-5alpha-cholestan-3beta-ol
5-alpha,6-alpha-Epoxycholestanol
Cholesterol alpha-oxide
Cholesterol-5alpha,6alpha-epoxide
Cholesterol-alpha-epoxide

lipidmaps:LMST01010004
lipidmapsM:LMST01010004
PRYIJAGAEJZDBO-ZEQHCUNVSA-N 		5,6alpha-epoxy-cholesterol(d7)
5,6alpha-epoxy-5alpha-cholestan-3beta-ol(d7)

lipidmaps:LMST01010011
lipidmapsM:LMST01010011
PRYIJAGAEJZDBO-ZEQHCUNVSA-N 		5,6alpha-epoxy-cholesterol
5,6alpha-epoxy-cholestanol
5alpha,6alpha-epoxy-5alpha-cholestan-3beta-ol
O2
ST 27:1

metacyc.compound:CPD-8895
metacycM:CPD-8895
PRYIJAGAEJZDBO-ZEQHCUNVSA-N 		5alpha,6alpha-epoxycholesterol
5,6-alpha-epoxy-5-alpha-cholestan-3-beta-ol
cholesterol-5alpha,6alpha-epoxide

sabiork.compound:31634
sabiorkM:31634
PRYIJAGAEJZDBO-ZEQHCUNVSA-N 		Cholesterol-5alpha,6alpha-epoxide
(3beta,5alpha,6alpha)-5,6-Epoxycholestan-3-ol
5,6alpha-Epoxy-5alpha-cholestan-3beta-ol

seed.compound:cpd14716
seedM:cpd14716
PRYIJAGAEJZDBO-ZEQHCUNVSA-N 		Cholesterol-5alpha,6alpha-epoxide
5,6-alpha-epoxy-5-alpha-cholestan-3-beta-ol
5,6alpha-Epoxy-5alpha-cholestan-3beta-ol

kegg.compound:C15992
keggC:C15992
PRYIJAGAEJZDBO-ZEQHCUNVSA-N 		Cholesterol-5alpha,6alpha-epoxide
5,6alpha-Epoxy-5alpha-cholestan-3beta-ol

keggC:M_C15992
seedM:M_cpd14716 		secondary/obsolete/fantasy identifier