methyl hydroxy-3,4-dehydro-apo-8′-lycopenoate (CHEBI:209405)

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CHEBI:209405 - methyl hydroxy-3,4-dehydro-apo-8′-lycopenoate

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ChEBI ID	CHEBI:209405
ChEBI Name	methyl hydroxy-3,4-dehydro-apo-8′-lycopenoate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H42O3
Net Charge	0
Average Mass	462.674
Monoisotopic Mass	462.31340
SMILES	COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)O
InChI	InChI=1S/C31H42O3/c1-25(15-9-10-16-26(2)21-13-23-29(5)30(32)34-8)17-11-18-27(3)19-12-20-28(4)22-14-24-31(6,7)33/h9-23,33H,24H2,1-8H3/b10-9+,17-11+,19-12+,21-13+,22-14+,25-15+,26-16+,27-18+,28-20+,29-23+
InChIKey	HOFMPCWXVPXFTB-TYVDVHELSA-N

Species of Metabolite	Component	Source	Comments
Halobacillus halophilus (ncbitaxon:1570)	-	PubMed (20414323)

ChEBI Ontology

Outgoing Relation(s)
	methyl hydroxy-3,4-dehydro-apo-8′-lycopenoate (CHEBI:209405) is a triterpenoid (CHEBI:36615)

IUPAC Name
methyl (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-23-hydroxy-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20-decaenoate

Manual Xrefs	Databases
29272844	ChemSpider