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

Feedback

3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde

MNXM1035 is deprecated and here replaced by MNXM726155
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM726155
reference	chebi:16286
formula	C₂₉H₄₈O₂
global charge	0
mol weight	428.701
InChIKey	HCOOTBJPHHNRCV-AQTSNUJDSA-N
InChI	InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h10,18-20,22-26,31H,7-9,11-17H2,1-6H3/t20-,22-,23+,24+,25-,26+,27-,28-,29+/m1/s1
SMILES	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@](C)(C=O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

MNX internals

InChI (mnx)	InChI=1/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h10,18-20,22-26,31H,7-9,11-17H2,1-6H3/t20-,22-,23+,24+,25-,26+,27-,28-,29+/m1/s1
SMILES (mnx)	[CH3:1][CH:19]([CH3:2])[CH2:8][CH2:7][CH2:9][C@@H:20]([CH3:3])[C@H:22]1[CH2:11][CH2:12][C@H:23]2[C:21]3=[CH:10][CH2:13][C@@H:25]4[C@:28]([CH3:5])([CH2:17][CH2:15][C@H:26]([OH:31])[C@@:29]4([CH3:6])[CH:18]=[O:30])[C@H:24]3[CH2:14][CH2:16][C@:27]12[CH3:4]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16286 chebi:16286 HCOOTBJPHHNRCV-AQTSNUJDSA-N	3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde 3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde
sabiork.compound:13574 sabiorkM:13574 HCOOTBJPHHNRCV-AQTSNUJDSA-N	3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde
seed.compound:cpd08348 seedM:cpd08348 HCOOTBJPHHNRCV-AQTSNUJDSA-N	3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde
metacyc.compound:CPD-5845 metacycM:CPD-5845 HCOOTBJPHHNRCV-AQTSNUJDSA-N	3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde
lipidmaps:LMST01010204 lipidmapsM:LMST01010204 HCOOTBJPHHNRCV-AQTSNUJDSA-N	3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde 3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde O2 ST 29:2
chebi:11907 chebi:1718 seedM:M_cpd08348	secondary/obsolete/fantasy identifier