EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:132463 - 2β-methyltetrahymanol

ChEBI IDCHEBI:132463
ChEBI Name2β-methyltetrahymanol
Stars
ASCII Name2beta-methyltetrahymanol
DefinitionA pentacyclic triterpenoid that consists of tetrahymanol carrying an additional methyl substituent at the 2β-position.
Last Modified8 November 2016
Submittergemma
DownloadsMolfile
FormulaC31H54O
Net Charge0
Average Mass442.772
Monoisotopic Mass442.41747
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]34C)[C@]1(C)CC[C@@]1([H])C(C)(C)C[C@@H](C)C[C@]21C
InChIInChI=1S/C31H54O/c1-20-18-26(2,3)21-12-16-31(9)24(29(21,7)19-20)11-10-23-28(6)15-14-25(32)27(4,5)22(28)13-17-30(23,31)8/h20-25,32H,10-19H2,1-9H3/t20-,21+,22+,23-,24-,25+,28+,29+,30-,31-/m1/s1
InChIKeyIRUAZLSVSAWHSS-GDKFKXPASA-N
Species of MetaboliteComponentSourceComments
Rhodopseudomonas palustris (ncbitaxon:1076) - PubMed (24496464)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2β-methyltetrahymanol (CHEBI:132463) has functional parent tetrahymanol (CHEBI:9493)
2β-methyltetrahymanol (CHEBI:132463) has parent hydride gammacerane (CHEBI:36473)
2β-methyltetrahymanol (CHEBI:132463) has role bacterial metabolite (CHEBI:76969)
2β-methyltetrahymanol (CHEBI:132463) is a pentacyclic triterpenoid (CHEBI:25872)
2β-methyltetrahymanol (CHEBI:132463) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
2β-methylgammaceran-21α-ol
Synonyms  Source
2-methyltetrahymanolChEBI
(2β,21α)-2-methylgammaceran-21-olIUPAC
Citations