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

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5alpha-cholest-8-en-3beta-ol

	Properties	Image
MNX_ID	MNXM2494
reference	chebi:16608
formula	C₂₇H₄₆O
global charge	0
mol weight	386.664
InChIKey	QETLKNDKQOXZRP-XTGBIJOFSA-N
InChI	InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-21,23-24,28H,6-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1
SMILES	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3

MNX internals

InChI (mnx)	InChI=1/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-21,23-24,28H,6-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1
SMILES (mnx)	[CH3:1][CH:18]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:19]([CH3:3])[C@H:23]1[CH2:11][CH2:12][C@H:24]2[C:22]3=[C:25]([CH2:14][CH2:16][C@:27]12[CH3:5])[C@@:26]1([CH3:4])[CH2:15][CH2:13][C@H:21]([OH:28])[CH2:17][C@@H:20]1[CH2:9][CH2:10]3

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	10

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-6807048 reactomeM:R-ALL-6807048 CHEBI:16608 chebi:16608 QETLKNDKQOXZRP-XTGBIJOFSA-N	5alpha-cholest-8-en-3beta-ol (5alpha)-cholest-8-en-3beta-ol 5alpha-Cholest-8-en-3beta-ol Cholestenol Zymostenol
hmdb:HMDB0006841 QETLKNDKQOXZRP-XTGBIJOFSA-N	5alpha-Cholest-8-en-3beta-ol (2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol (3beta,5alpha)-Cholest-8-en-3-ol (3beta,5alpha)-cholest-8-en-3-ol (3beta,5alpha)Cholestenol 3beta-Hydroxy-5alpha-cholest-8(9)-ene 3beta-Hydroxy-8(9)-cholestene 3beta-Hydroxycholest-8(9)-ene 3beta-hydroxy-5alpha-cholest-8(9)-ene 5-alpha-Cholest-8-en-3-beta-ol 5a-Cholest-8-en-3b-ol 5a-cholest-8-en-3b-ol 5alpha-Cholest-8(9)-en-3beta-ol 5alpha-cholest-8-en-3beta-ol 8(9)-Cholestenol Cholest-8(9)-en-3beta-ol Cholesta-8(9)-en-3beta-ol Cholestenol Dihydrozymosterol Zymostenol Zymostenol, (3beta)-isomer delta(8)-Cholestenol delta8-Cholestenol delta8-cholestenol
kegg.compound:C03845 keggC:C03845 QETLKNDKQOXZRP-XTGBIJOFSA-N	5alpha-Cholest-8-en-3beta-ol Cholestenol Zymostenol
bigg.metabolite:zymstnl biggM:zymstnl SLM:000000468 slm:000000468 QETLKNDKQOXZRP-XTGBIJOFSA-N	5alpha-cholest-8-en-3beta-ol
vmhM:zymstnl vmhmetabolite:zymstnl QETLKNDKQOXZRP-XTGBIJOFSA-N	5alpha-cholest-8-en-3beta-ol (2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol
lipidmaps:LMST01010365 lipidmapsM:LMST01010365 QETLKNDKQOXZRP-XTGBIJOFSA-N	Zymostenol-d7 5alpha-cholest-8(9)-en-3beta-ol-d7 5alpha-cholest-8-en-3beta-ol-d7
seed.compound:cpd02398 seedM:cpd02398 QETLKNDKQOXZRP-XTGBIJOFSA-N	Zymostenol 5alpha-Cholest-8-en-3beta-ol 5alpha-cholesta-8-en-3beta-ol Cholestenol cholestenol zymostenol
lipidmaps:LMST01010096 lipidmapsM:LMST01010096 QETLKNDKQOXZRP-XTGBIJOFSA-N	Zymostenol 5alpha-cholest-8(9)-en-3beta-ol 5alpha-cholest-8-en-3beta-ol O ST 27:1
vmhM:CE2315 vmhmetabolite:CE2315 QETLKNDKQOXZRP-XTGBIJOFSA-N	cholesta-8(9)-en-3beta-ol 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
metacyc.compound:CPD-8621 metacycM:CPD-8621 QETLKNDKQOXZRP-XTGBIJOFSA-N	zymostenol 5alpha-cholesta-8-en-3beta-ol cholest-8-en-3-ol cholestenol
hmdb:HMDB0006541 hmdb:HMDB0059618 hmdb:HMDB06541 hmdb:HMDB06841 hmdb:HMDB59618 chebi:12170 chebi:20645 chebi:2139 biggM:M_zymstnl keggC:M_C03845 seedM:M_cpd02398 vmhM:M_CE2315 vmhM:M_zymstnl	secondary/obsolete/fantasy identifier