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

Feedback

4alpha-hydroxymethylzymosterol

MNXM89469 is deprecated and here replaced by MNXM741158
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM741158
reference	chebi:146130
formula	C₂₈H₄₆O₂
global charge	0
mol weight	414.674
InChIKey	ORZKEIGPXNMCHC-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/h7,19,21-24,26,29-30H,6,8-17H2,1-5H3/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](CO)[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/h7,19,21-24,26,29-30H,6,8-17H2,1-5H3/t19-,21+,22-,23+,24+,26+,27-,28+/m1/s1
SMILES (mnx)	[CH3:1][C:18]([CH3:2])=[CH: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]([CH2:17][OH: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)	16
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:146130 chebi:146130 ORZKEIGPXNMCHC-NUESBDPTSA-N	4alpha-hydroxymethylzymosterol (1R,3aR,5aS,6R,7S,9aS,11aR)-6-(hydroxymethyl)-9a,11a-dimethyl-1-[(2R)-6-methylhept-5-en-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol 4alpha-(hydroxymethyl)-5alpha-cholesta-8,24-dien-3beta-ol
metacyc.compound:CPD-4579 metacycM:CPD-4579 seed.compound:cpd24505 seedM:cpd24505 ORZKEIGPXNMCHC-NUESBDPTSA-N	4alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol
hmdb:HMDB0062392 ORZKEIGPXNMCHC-NUESBDPTSA-N	4alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol (2S,5S,6R,7S,11R,14R,15R)-6-(hydroxymethyl)-2,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-5-ol
lipidmaps:LMST01010234 lipidmapsM:LMST01010234 ORZKEIGPXNMCHC-NUESBDPTSA-N	4alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol O2 ST 28:2
hmdb:HMDB62392 seedM:M_cpd24505	secondary/obsolete/fantasy identifier