(3R*,5E,7E,9R*,11E,13Z)-1-((3S*,6R*)-2-amino-5-oxo-3,5,6,6-tetrahydrofuro[3,2-b]furan-3-yl)-3,7,9,11-tetramethylheptadeca-5,7,11,13-tetraene-1,2-dione (CHEBI:216977)

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CHEBI:216977 - (3R,5E,7E,9R,11E,13Z)-1-((3S,6R)-2-amino-5-oxo-3,5,6,6-tetrahydrofuro[3,2-b]furan-3-yl)-3,7,9,11-tetramethylheptadeca-5,7,11,13-tetraene-1,2-dione

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ChEBI ID	CHEBI:216977
ChEBI Name	(3R,5E,7E,9R,11E,13Z)-1-((3S,6R)-2-amino-5-oxo-3,5,6,6-tetrahydrofuro[3,2-b]furan-3-yl)-3,7,9,11-tetramethylheptadeca-5,7,11,13-tetraene-1,2-dione
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Submitter	MetaboLights
Downloads	Molfile

Formula	C26H35NO5
Net Charge	0
Average Mass	441.568
Monoisotopic Mass	441.25152
SMILES	CC/C=C\C=C(/C)C[C@@H](C)/C=C(C)/C=C/C[C@@H](C)C(=O)C(=O)C1=C(N)O[C@@H]2CC(=O)O[C@@H]12
InChI	InChI=1S/C26H35NO5/c1-6-7-8-10-16(2)13-18(4)14-17(3)11-9-12-19(5)23(29)24(30)22-25-20(31-26(22)27)15-21(28)32-25/h7-11,14,18-20,25H,6,12-13,15,27H2,1-5H3/b8-7-,11-9+,16-10+,17-14+/t18-,19-,20-,25-/m1/s1
InChIKey	ZEPCBSVEBNPRGO-XAIQRUHUSA-N

Species of Metabolite	Component	Source	Comments
Paecilomycesspecies (ncbitaxon:40383)	-	DOI (10.1007/s10600-013-0693-y)

ChEBI Ontology

Outgoing Relation(s)
	(3R,5E,7E,9R,11E,13Z)-1-((3S,6R)-2-amino-5-oxo-3,5,6,6-tetrahydrofuro[3,2-b]furan-3-yl)-3,7,9,11-tetramethylheptadeca-5,7,11,13-tetraene-1,2-dione (CHEBI:216977) is a diterpene lactone (CHEBI:49193)

IUPAC Name
(3R,5E,7E,9R,11E,13Z)-1-[(3aR,6aS)-5-amino-2-oxo-3a,6a-dihydro-3H-uro[3,2-b]uran-6-yl]-3,7,9,11-tetramethylhexadeca-5,7,11,13-tetraene-1,2-dione

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