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CHEBI:146130 - 4α-hydroxymethylzymosterol

ChEBI IDCHEBI:146130
ChEBI Name4α-hydroxymethylzymosterol
Stars
ASCII Name4alpha-hydroxymethylzymosterol
DefinitionA 4-hydroxymethylzymosterol in which the hydroxymethyl group at position 4 has α-configuration.
Last Modified16 July 2021
Submitterlaimo
DownloadsMolfile
FormulaC28H46O2
Net Charge0
Average Mass414.674
Monoisotopic Mass414.34978
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC=C(C)C)[C@@]1(C)CCC1=C2CC[C@@]2([H])[C@H](CO)[C@@H](O)CC[C@]12C
InChIInChI=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
InChIKeyORZKEIGPXNMCHC-NUESBDPTSA-N
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
4α-hydroxymethylzymosterol (CHEBI:146130) has functional parent 4α-methylzymosterol (CHEBI:1949)
4α-hydroxymethylzymosterol (CHEBI:146130) is a 4-hydroxymethylzymosterol (CHEBI:52388)
Incoming Relation(s)
4α-formylzymosterol (CHEBI:146131) has functional parent 4α-hydroxymethylzymosterol (CHEBI:146130)
IUPAC Name 
4α-(hydroxymethyl)-5α-cholesta-8,24-dien-3β-ol
Synonym  Source
(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-olIUPAC
UniProt Name  Source
4α-hydroxymethylzymosterolUniProt
Manual XrefsDatabases
LMST01010234LIPID MAPS
HMDB0062392HMDB
CPD-4579MetaCyc