trans-Geranylgeranylbixin (CHEBI:231983)

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CHEBI:231983 - trans-Geranylgeranylbixin

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ChEBI ID	CHEBI:231983
ChEBI Name	trans-Geranylgeranylbixin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C45H62O4
Net Charge	0
Average Mass	666.987
Monoisotopic Mass	666.46481
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(=O)OC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChI	InChI=1S/C45H62O4/c1-36(2)18-13-21-39(5)24-14-25-40(6)26-17-29-43(9)34-35-49-45(47)33-31-42(8)28-16-23-38(4)20-12-11-19-37(3)22-15-27-41(7)30-32-44(46)48-10/h11-12,15-16,18-20,22-24,26-28,30-34H,13-14,17,21,25,29,35H2,1-10H3/b12-11+,22-15-,23-16+,32-30-,33-31-,37-19+,38-20-,39-24+,40-26+,41-27-,42-28-,43-34-
InChIKey	DFRROFUPJNRAIP-UGJJRUAASA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	esophageal mucosa (BTO:0002859)	MetaboLights (MTBLS4816)

ChEBI Ontology

Outgoing Relation(s)
	trans-Geranylgeranylbixin (CHEBI:231983) is a diterpenoid (CHEBI:23849)

IUPAC Name
1-O-methyl 20-O-[(2Z,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] (2Z,4Z,6Z,8E,10E,12Z,14E,16Z,18Z)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioate

Manual Xrefs	Databases
HMDB0034387	HMDB