Dichrysobactin (CHEBI:209447)

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CHEBI:209447 - Dichrysobactin

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ChEBI ID	CHEBI:209447
ChEBI Name	Dichrysobactin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H44N6O13
Net Charge	0
Average Mass	720.733
Monoisotopic Mass	720.29664
SMILES	NCCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H](COC(=O)[C@H](CO)NC(=O)[C@@H](CCCCN)NC(=O)c1cccc(O)c1O)C(=O)O
InChI	InChI=1S/C32H44N6O13/c33-13-3-1-9-19(35-27(44)17-7-5-11-23(40)25(17)42)29(46)37-21(15-39)32(50)51-16-22(31(48)49)38-30(47)20(10-2-4-14-34)36-28(45)18-8-6-12-24(41)26(18)43/h5-8,11-12,19-22,39-43H,1-4,9-10,13-16,33-34H2,(H,35,44)(H,36,45)(H,37,46)(H,38,47)(H,48,49)/t19-,20-,21+,22+/m1/s1
InChIKey	NQNOYRJMWKVMTO-CZYKHXBRSA-N

Species of Metabolite	Component	Source	Comments
Dickeya chrysanthemi (ncbitaxon:556)	-	PubMed (21545171)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Dichrysobactin (CHEBI:209447) is a dipeptide (CHEBI:46761)

IUPAC Name
(2S)-2-[[(2R)-6-amino-2-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-[(2S)-2-[[(2R)-6-amino-2-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-hydroxypropanoyl]oxypropanoic acid

Manual Xrefs	Databases
78437393	ChemSpider