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

Feedback

4alpha-formyl-5alpha-cholest-8-en-3beta-ol

MNXM10255 is deprecated and here replaced by MNXM1103809
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1103809
reference	chebi:87054
formula	C₂₈H₄₆O₂
global charge	0
mol weight	414.674
InChIKey	MHYWFGFPMGLYBL-NUESBDPTSA-N
InChI	InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h17-19,21-24,26,30H,6-16H2,1-5H3/t19-,21+,22-,23+,24+,26+,27-,28+/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@@H](C=O)[C@@H]1CC3

MNX internals

InChI (mnx)	InChI=1/C28H46O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h17-19,21-24,26,30H,6-16H2,1-5H3/t19-,21+,22-,23+,24+,26+,27-,28+/m1/s1
SMILES (mnx)	[CH3:1][CH:18]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:19]([CH3:3])[C@H:22]1[CH2:11][CH2:12][C@H:23]2[C:20]3=[C:25]([CH2:13][CH2:15][C@:27]12[CH3:4])[C@@:28]1([CH3:5])[CH2:16][CH2:14][C@H:26]([OH:30])[C@@H:21]([CH:17]=[O:29])[C@@H:24]1[CH2:10][CH2:9]3

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	15
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:87054 chebi:87054 MHYWFGFPMGLYBL-NUESBDPTSA-N	4alpha-formyl-5alpha-cholest-8-en-3beta-ol (3beta,4alpha,5alpha)-3-hydroxycholest-8-ene-4-carbaldehyde 3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carbaldehyde
bigg.metabolite:M00960 biggM:M00960 MHYWFGFPMGLYBL-NUESBDPTSA-N	4Alpha-Formyl-5Alpha-Cholesta-8-En-3Beta-Ol
SLM:000489963 slm:000489963 MHYWFGFPMGLYBL-NUESBDPTSA-N	4alpha-formyl-5alpha-cholest-8-en-3beta-ol
metacyc.compound:CPD-8618 metacycM:CPD-8618 seed.compound:cpd25364 seedM:cpd25364 MHYWFGFPMGLYBL-NUESBDPTSA-N	4alpha-formyl-5alpha-cholesta-8-en-3beta-ol
lipidmaps:LMST01010231 lipidmapsM:LMST01010231 MHYWFGFPMGLYBL-NUESBDPTSA-N	4alpha-formyl-5alpha-cholesta-8-en-3beta-ol O2 ST 28:2
biggM:M_M00960 seedM:M_cpd25364	secondary/obsolete/fantasy identifier