CHEBI:149594 - N1-(3,4-dihydroxybenzoyl)-N8,N'8-citryl-bis(spermidine) (2+)

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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,N'8-citryl-bis(spermidine) (2+)
ChEBI ID CHEBI:149594
ChEBI ASCII Name N(1)-(3,4-dihydroxybenzoyl)-N(8),N'(8)-citryl-bis(spermidine) (2+)
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 C27H48N6O8
Net Charge +2
Average Mass 584.714
Monoisotopic Mass 584.35227
InChI InChI=1S/C27H46N6O8/c28-9-5-12-29-10-1-3-14-31-23(36)18-27(41,26(39)40)19-24(37)32-15-4-2-11-30-13-6-16-33-25(38)20-7-8-21(34)22(35)17-20/h7-8,17,29-30,34-35,41H,1-6,9-16,18-19,28H2,(H,31,36)(H,32,37)(H,33,38)(H,39,40)/p+2
InChIKey WFTUITCRVHXYNE-UHFFFAOYSA-P
SMILES C(=O)([O-])C(CC(=O)NCCCC[NH2+]CCCNC(C1=CC=C(C(=C1)O)O)=O)(CC(=O)NCCCC[NH2+]CCC[NH3+])O
ChEBI Ontology
Outgoing N1-(3,4-dihydroxybenzoyl)-N8,N'8-citryl-bis(spermidine) (2+) (CHEBI:149594) is a organic molecular entity (CHEBI:50860)
Synonym Source
N1-(3,4-dihydroxybenzoyl)-N8,N'8-citryl-bis(spermidine) UniProt
Manual Xref Database
CPD-11481 MetaCyc accession
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Citation Waiting for Citations Type Source
18758617 PubMed citation SUBMITTER