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CHEBI:87046 - 4α-formyl-4β-methyl-5α-8-cholesten-3β-ol

ChEBI IDCHEBI:87046
ChEBI Name4α-formyl-4β-methyl-5α-8-cholesten-3β-ol
Stars
ASCII Name4alpha-formyl-4beta-methyl-5alpha-8-cholesten-3beta-ol
DefinitionA 3β-sterol that is 5α-cholest-8-en-3β-ol carrying formyl and methyl substituents at position 4.
Last Modified30 January 2020
Submitterabridge
DownloadsMolfile
FormulaC29H48O2
Net Charge0
Average Mass428.701
Monoisotopic Mass428.36543
SMILES[H][C@@]12CCC3=C(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](O)[C@@]2(C)C=O
InChIInChI=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/h18-20,22-23,25-26,31H,7-17H2,1-6H3/t20-,22-,23+,25-,26+,27-,28-,29+/m1/s1
InChIKeyWWTBBRMTEFBUND-WKYRUEGDSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
4α-formyl-4β-methyl-5α-8-cholesten-3β-ol (CHEBI:87046) has role human metabolite (CHEBI:77746)
4α-formyl-4β-methyl-5α-8-cholesten-3β-ol (CHEBI:87046) is a 3β-hydroxy-4α-formyl-4β-methylsteroid (CHEBI:145353)
4α-formyl-4β-methyl-5α-8-cholesten-3β-ol (CHEBI:87046) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3β,4α,5α)-3-hydroxy-4-methylcholest-8-ene-4-carbaldehyde
Synonym  Source
3β-hydroxy-4-methyl-5α-cholest-8-ene-4α-carbaldehydeChEBI
UniProt Name  Source
4α-hydroxyformyl-4β-methyl-5α-cholest-8-en-3β-olUniProt
Manual XrefsDatabases
LMST01010230LIPID MAPS
HMDB0012168HMDB
CPD-8612MetaCyc