N(1)-(3,4-dihydroxybenzoyl)-N(8)-citryl-spermidine (1-) (CHEBI:149593)

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CHEBI:149593 - N¹-(3,4-dihydroxybenzoyl)-N⁸-citryl-spermidine (1−)

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ChEBI ID	CHEBI:149593
ChEBI Name	N¹-(3,4-dihydroxybenzoyl)-N⁸-citryl-spermidine (1−)
Stars
ASCII Name	N(1)-(3,4-dihydroxybenzoyl)-N(8)-citryl-spermidine (1-)
Definition	Major species at pH 7.3.
Submitter	Anne Morgat
Downloads	Molfile

Formula	C20H28N3O9
Net Charge	-1
Average Mass	454.456
Monoisotopic Mass	454.18310
SMILES	O=C([O-])CC(O)(CC(=O)NCCCC[NH2+]CCCNC(=O)c1ccc(O)c(O)c1)C(=O)[O-]
InChI	InChI=1S/C20H29N3O9/c24-14-5-4-13(10-15(14)25)18(29)23-9-3-7-21-6-1-2-8-22-16(26)11-20(32,19(30)31)12-17(27)28/h4-5,10,21,24-25,32H,1-3,6-9,11-12H2,(H,22,26)(H,23,29)(H,27,28)(H,30,31)/p-1
InChIKey	FXIUYHSBLDKCJD-UHFFFAOYSA-M

ChEBI Ontology

Outgoing Relation(s)
	N¹-(3,4-dihydroxybenzoyl)-N⁸-citryl-spermidine (1−) (CHEBI:149593) is a organic molecular entity (CHEBI:50860)

UniProt Name	Source
N¹-(3,4-dihydroxybenzoyl)-N⁸-citryl-spermidine	UniProt

Manual Xrefs	Databases
CPD-11477	MetaCyc

Citations