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CHEBI:16495 - 4α-methyllathosterone

ChEBI IDCHEBI:16495
ChEBI Name4α-methyllathosterone
Stars
ASCII Name4alpha-methyllathosterone
DefinitionA cholestanoid that is lathosterone bearing an α-methyl substituent at position 4.
Secondary ChEBI IDsCHEBI:1947, CHEBI:12049, CHEBI:20487, CHEBI:71571
Last Modified21 November 2014
SubmitterAlan Bridge
DownloadsMolfile
FormulaC28H46O
Net Charge0
Average Mass398.675
Monoisotopic Mass398.35487
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC[C@@]2([H])[C@H](C)C(=O)CC[C@]12C
InChIInChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-25H,7-9,11-17H2,1-6H3/t19-,20+,22-,23+,24+,25+,27-,28+/m1/s1
InChIKeyOWKGVPXWOHLTSL-LIUJFMQASA-N
ChEBI Ontology
Outgoing Relation(s)
4α-methyllathosterone (CHEBI:16495) has parent hydride 5α-cholestane (CHEBI:35515)
4α-methyllathosterone (CHEBI:16495) is a 3-oxo Δ7-steroid (CHEBI:71598)
IUPAC Name 
4α-methyl-5α-cholest-7-en-3-one
Synonyms  Source
4alpha-Methyl-5alpha-cholest-7-en-3-oneKEGG COMPOUND
(4α,5α)-4-methylcholest-7-en-3-oneChEBI
UniProt Name  Source
4α-methyl-5α-cholest-7-en-3-oneUniProt
Manual XrefsDatabases
C04453KEGG COMPOUND
LMST01010208LIPID MAPS
US2007219173Patent
HMDB0011606HMDB
4-ALPHA-METHYL-5-ALPHA-CHOLEST-7-EN-3-ONMetaCyc
Registry NumbersSources
Reaxys:3163492Reaxys
CAS:2789-43-7HMDB
Citations