Protochelin (CHEBI:219946)

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CHEBI:219946 - Protochelin

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ChEBI ID	CHEBI:219946
ChEBI Name	Protochelin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H36N4O10
Net Charge	0
Average Mass	624.647
Monoisotopic Mass	624.24314
SMILES	O=C(NCCCCNC(=O)[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O)c1cccc(O)c1O
InChI	InChI=1S/C31H36N4O10/c36-22-12-5-8-18(25(22)39)28(42)32-15-2-1-11-21(35-30(44)20-10-7-14-24(38)27(20)41)31(45)34-17-4-3-16-33-29(43)19-9-6-13-23(37)26(19)40/h5-10,12-14,21,36-41H,1-4,11,15-17H2,(H,32,42)(H,33,43)(H,34,45)(H,35,44)/t21-/m0/s1
InChIKey	FRTUVWLJPRMTFC-NRFANRHFSA-N

Species of Metabolite	Component	Source	Comments
Azotobacter vinelandii (ncbitaxon:354)	-	DOI (10.1007/BF00141607)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Protochelin (CHEBI:219946) is a N-acylglycine (CHEBI:16180)

IUPAC Name
N-[5-[(2,3-dihydroxybenzoyl)amino]-6-[4-[(2,3-dihydroxybenzoyl)amino]butylamino]-6-oxohexyl]-2,3-dihydroxybenzamide