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

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ChEBI Name 4α-formyl-4β-methyl-5α-8-cholesten-3β-ol
ChEBI ID CHEBI:87046
ChEBI ASCII Name 4alpha-formyl-4beta-methyl-5alpha-8-cholesten-3beta-ol
Definition A 3β-sterol that is 5α-cholest-8-en-3β-ol carrying formyl and methyl substituents at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter abridge
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Formula C29H48O2
Net Charge 0
Average Mass 428.69020
Monoisotopic Mass 428.36543
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/h18-20,22-23,25-26,31H,7-17H2,1-6H3/t20-,22-,23+,25-,26+,27-,28-,29+/m1/s1
InChIKey WWTBBRMTEFBUND-WKYRUEGDSA-N
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@@](C)(C=O)[C@@H]1CC3
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Synonyms Sources
3β-hydroxy-4-methyl-5α-cholest-8-ene-4α-carbaldehyde ChEBI
4α-hydroxyformyl-4β-methyl-5α-cholest-8-en-3β-ol UniProt
Manual Xrefs Databases
CPD-8612 MetaCyc
HMDB0012168 HMDB
LMST01010230 LIPID MAPS
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Last Modified
30 January 2020