Woodybactin A (CHEBI:210656)

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CHEBI:210656 - Woodybactin A

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ChEBI ID	CHEBI:210656
ChEBI Name	Woodybactin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H34N2O10
Net Charge	0
Average Mass	462.496
Monoisotopic Mass	462.22135
SMILES	CCCCCCCC(=O)N(O)CCCC[C@H](NC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O
InChI	InChI=1S/C20H34N2O10/c1-2-3-4-5-6-10-16(24)22(32)11-8-7-9-14(18(27)28)21-15(23)12-20(31,19(29)30)13-17(25)26/h14,31-32H,2-13H2,1H3,(H,21,23)(H,25,26)(H,27,28)(H,29,30)/t14-,20?/m0/s1
InChIKey	DHUKDCFKLDMWTQ-PVCZSOGJSA-N

Species of Metabolite	Component	Source	Comments
Shewanella (ncbitaxon:22)	-	PubMed (31203087)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Woodybactin A (CHEBI:210656) is a N-acyl-L-amino acid (CHEBI:21644)

IUPAC Name
2-[2-[[(1S)-1-carboxy-5-[hydroxy(octanoyl)amino]pentyl]amino]-2-oxoethyl]-2-hydroxybutanedioic acid

Manual Xrefs	Databases
79715316	ChemSpider