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

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lathosterol

	Properties	Image
MNX_ID	MNXM810
reference	chebi:17168
formula	C₂₇H₄₆O
global charge	0
mol weight	386.664
InChIKey	IZVFFXVYBHFIHY-SKCNUYALSA-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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,26+,27-/m1/s1
SMILES	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,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=[CH:10][CH2:9][C@H:20]4[CH2:17][C@@H:21]([OH:28])[CH2:13][CH2:15][C@:26]4([CH3:4])[C@H:25]3[CH2:14][CH2:16][C@:27]12[CH3:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	23
in models (compartimentalized)	18

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-6807054 reactomeM:R-ALL-6807054 CHEBI:17168 chebi:17168 IZVFFXVYBHFIHY-SKCNUYALSA-N	lathosterol 5alpha-Cholest-7-en-3beta-ol 5alpha-cholest-7-en-3beta-ol Lathosterol gamma-Cholesterol
bigg.metabolite:lthstrl biggM:lthstrl IZVFFXVYBHFIHY-SKCNUYALSA-N	5alpha-Cholest-7-en-3beta-ol
sabiork.compound:5431 sabiorkM:5431 IZVFFXVYBHFIHY-SKCNUYALSA-N	5alpha-Cholest-7-en-3beta-ol Lathosterol
SLM:000000193 slm:000000193 IZVFFXVYBHFIHY-SKCNUYALSA-N	5alpha-cholest-7-en-3beta-ol
vmhM:lthstrl vmhmetabolite:lthstrl IZVFFXVYBHFIHY-SKCNUYALSA-N	5alpha-cholest-7-en-3beta-ol (1R,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-9-en-5-ol
hmdb:HMDB0001170 IZVFFXVYBHFIHY-SKCNUYALSA-N	Lathosterol (1R,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-9-en-5-ol (3beta)-Cholest-7-en-3-ol (3beta,5alpha)-Cholest-7-en-3-ol (3beta,alpha)-Cholest-7-en-3-ol (7)-Cholestenol 3b-Hydroxy-5-cholestene 3beta-Hydroxy-5alpha-cholest-7-ene 5-a-Cholest-7-en-3-beta-ol 5-alpha-Cholest-7-en-3-beta-ol 5a-Cholest-7-en-3b-ol 5alpha-Cholest-7-en-3beta-ol 5alpha-cholest-7-en-3beta-ol 7-Cholesten-3-beta-ol 7-Cholestenol 7-Cholesterol Cholest-7-en-3-ol Cholest-7-en-3beta-ol Cholest-7-en-ol Cholesterol - synthetic Cholesterol GR Cholesterol extra pure Cholesterol pharma Cholesterol,NF grade DELTA7-Cholesten-3beta-ol DELTA7-Cholestenol delta(7)-Cholestenol g-Cholesterol gamma-Cholestenol gamma-Cholesterol gamma-cholesterol
kegg.compound:C01189 keggC:C01189 IZVFFXVYBHFIHY-SKCNUYALSA-N	Lathosterol 5alpha-Cholest-7-en-3beta-ol
seed.compound:cpd00877 seedM:cpd00877 IZVFFXVYBHFIHY-SKCNUYALSA-N	Lathosterol 5alpha-Cholest-7-en-3beta-ol 5alpha-cholest-7-en-3beta-ol alpha-cholest-7-en-3beta-ol cholesta-7-enol delta7-cholesten-3-beta-ol gamma-cholesterol lathosterol
lipidmaps:LMST01010089 lipidmapsM:LMST01010089 IZVFFXVYBHFIHY-SKCNUYALSA-N	Lathosterol O ST 27:1 cholest-7-en-3beta-ol
metacyc.compound:CPD-4186 metacycM:CPD-4186 IZVFFXVYBHFIHY-SKCNUYALSA-N	lathosterol 5alpha-cholest-7-en-3beta-ol Delta7-cholesten-3-beta-ol alpha-cholest-7-en-3beta-ol cholesta-7-en-3beta-ol cholesta-7-enol gamma-cholesterol
hmdb:HMDB01170 chebi:12169 chebi:20643 chebi:2138 biggM:M_lthstrl keggC:M_C01189 seedM:M_cpd00877 vmhM:M_lthstrl	secondary/obsolete/fantasy identifier