CHEBI:139480 - (+)-O-methylkolavelool

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ChEBI Name (+)-O-methylkolavelool ChEBI ID CHEBI:139480 ChEBI ASCII Name (+)-O-methylkolavelool Definition A diterpenoid that is (+)-kolavelool in which the tertiary hydroxy hydrogen has been replaced by a methyl group. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H36O Net Charge 0 Average Mass 304.511 Monoisotopic Mass 304.27662 InChI InChI=1S/C21H36O/c1-8-19(4,22-7)14-15-21(6)17(3)12-13-20(5)16(2)10-9-11-18(20)21/h8,10,17-18H,1,9,11-15H2,2-7H3/t17-,18+,19?,20+,21+/m0/s1 InChIKey VRVYZZJPEDVTBX-POFDQXHJSA-N SMILES [C@@]1([C@@H](C)CC[C@]2([C@@]1([H])CCC=C2C)C)(CCC(C=C)(OC)C)C Metabolite of Species Details Herpetosiphon aurantiacus (NCBI:txid65) See: PubMed Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing (+)-O-methylkolavelool (CHEBI:139480) has functional parent (+)-kolavelool (CHEBI:138313) (+)-O-methylkolavelool (CHEBI:139480) has role bacterial metabolite (CHEBI:76969) (+)-O-methylkolavelool (CHEBI:139480) is a diterpenoid (CHEBI:23849) (+)-O-methylkolavelool (CHEBI:139480) is a ether (CHEBI:25698) (+)-O-methylkolavelool (CHEBI:139480) is a octahydronaphthalenes (CHEBI:138397) IUPAC Name (3S,4R,4aS,8aS)-4-(3-methoxy-3-methylpent-4-en-1-yl)-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene Synonym Source (+)-O-methylkolavelool UniProt Manual Xref Database CPD-20432 MetaCyc View more database links Citation Type Source 25694050 PubMed citation SUBMITTER Last Modified 12 February 2018