Malleobactin A (CHEBI:212275)

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CHEBI:212275 - Malleobactin A

Default Structure

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ChEBI ID	CHEBI:212275
ChEBI Name	Malleobactin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H40N8O13
Net Charge	0
Average Mass	636.616
Monoisotopic Mass	636.27148
SMILES	NCCCCNC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](CCC[N+](=O)[O-])NC=O)[C@@H](O)C(=O)O
InChI	InChI=1S/C23H40N8O13/c24-7-1-2-8-25-19(36)15(6-3-9-30(42)13-34)27-21(38)16(11-32)28-22(39)17(18(35)23(40)41)29-20(37)14(26-12-33)5-4-10-31(43)44/h12-18,32,35,42H,1-11,24H2,(H,25,36)(H,26,33)(H,27,38)(H,28,39)(H,29,37)(H,40,41)/t14-,15-,16-,17+,18+/m0/s1
InChIKey	SFTPYNFMHUKKSK-NNPSNHGLSA-N

Species of Metabolite	Component	Source	Comments
Burkholderia mallei (ncbitaxon:13373)	-	PubMed (23821334)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Malleobactin A (CHEBI:212275) 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-nitropentanoyl]amino]-2-hydroxy-4-oxobutanoic acid

Manual Xrefs	Databases
78437465	ChemSpider