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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N1-(3,4-dihydroxybenzoyl)-N8-citryl-spermidine (1−)
ChEBI ID CHEBI:149593
ChEBI ASCII Name N(1)-(3,4-dihydroxybenzoyl)-N(8)-citryl-spermidine (1-)
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C20H28N3O9
Net Charge -1
Average Mass 454.457
Monoisotopic Mass 454.18310
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
SMILES C(=O)([O-])C(CC(=O)NCCCC[NH2+]CCCNC(C1=CC=C(C(=C1)O)O)=O)(CC(=O)[O-])O
ChEBI Ontology
Outgoing N1-(3,4-dihydroxybenzoyl)-N8-citryl-spermidine (1−) (CHEBI:149593) is a organic molecular entity (CHEBI:50860)
Synonym Source
N1-(3,4-dihydroxybenzoyl)-N8-citryl-spermidine UniProt
Manual Xref Database
CPD-11477 MetaCyc accession
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Citation Waiting for Citations Type Source
18758617 PubMed citation SUBMITTER