Malleobactin E (CHEBI:219289)

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CHEBI:219289 - Malleobactin E

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ChEBI ID	CHEBI:219289
ChEBI Name	Malleobactin E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H42N8O13
Net Charge	0
Average Mass	650.643
Monoisotopic Mass	650.28713
SMILES	NCCCCNC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](CCCN(O)C=O)NC=O)[C@@H](O)C(=O)O
InChI	InChI=1S/C24H42N8O13/c25-7-1-2-8-26-20(38)16(6-4-10-32(45)14-36)28-22(40)17(11-33)29-23(41)18(19(37)24(42)43)30-21(39)15(27-12-34)5-3-9-31(44)13-35/h12-19,33,37,44-45H,1-11,25H2,(H,26,38)(H,27,34)(H,28,40)(H,29,41)(H,30,39)(H,42,43)/t15-,16-,17-,18+,19+/m0/s1
InChIKey	DNYZQVWCBVNGDI-LTFXXXRZSA-N

Species of Metabolite	Component	Source	Comments
Burkholderia thailandensis E264 (ncbitaxon:271848)	-	PubMed (25873483)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Malleobactin E (CHEBI:219289) is a oligopeptide (CHEBI:25676)

IUPAC Name
(2R,3R)-4-[[(2S)-1-[[(2S)-1-(4-aminobutylamino)-5-[ormyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[(2S)-2-ormamido-5-[ormyl(hydroxy)amino]pentanoyl]amino]-2-hydroxy-4-oxobutanoic acid

Manual Xrefs	Databases
78438702	ChemSpider