Vacidobactin A (CHEBI:220126)

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CHEBI:220126 - Vacidobactin A

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ChEBI ID	CHEBI:220126
ChEBI Name	Vacidobactin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H49N7O16
Net Charge	0
Average Mass	751.744
Monoisotopic Mass	751.32358
SMILES	CC1CC(=O)NC(CCCN(O)C=O)C(O)C(C)C(=O)NC(C(C)O)C(=O)NC(CCCNO)C(=O)NC(CO)C(=O)NC(C(O)C(=O)O)C(=O)O1
InChI	InChI=1S/C29H49N7O16/c1-13-10-19(40)31-16(7-5-9-36(51)12-38)22(41)14(2)24(43)34-20(15(3)39)27(46)32-17(6-4-8-30-50)25(44)33-18(11-37)26(45)35-21(29(49)52-13)23(42)28(47)48/h12-18,20-23,30,37,39,41-42,50-51H,4-11H2,1-3H3,(H,31,40)(H,32,46)(H,33,44)(H,34,43)(H,35,45)(H,47,48)
InChIKey	BYSPKLMXELOKRR-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Variovorax paradoxus S110 (ncbitaxon:543728)	-	PubMed (26412281)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Vacidobactin A (CHEBI:220126) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
2-[17-[3-[ormyl(hydroxy)amino]propyl]-16-hydroxy-9-[3-(hydroxyamino)propyl]-12-(1-hydroxyethyl)-6-(hydroxymethyl)-15,21-dimethyl-2,5,8,11,14,19-hexaoxo-1-oxa-4,7,10,13,18-pentazacyclohenicos-3-yl]-2-hydroxyacetic acid