Exochelin MS (CHEBI:197790)

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CHEBI:197790 - Exochelin MS

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ChEBI ID	CHEBI:197790
ChEBI Name	Exochelin MS
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H44N8O11
Net Charge	0
Average Mass	608.650
Monoisotopic Mass	608.31295
SMILES	CC(O)C(NC(=O)C(N)CCCN(O)C(=O)CCNC(=O)C(N)CCCN(O)C=O)C(=O)N(O)CCCC(N)C(=O)O
InChI	InChI=1S/C23H44N8O11/c1-14(33)19(22(37)31(42)12-4-7-17(26)23(38)39)28-21(36)16(25)6-3-11-30(41)18(34)8-9-27-20(35)15(24)5-2-10-29(40)13-32/h13-17,19,33,40-42H,2-12,24-26H2,1H3,(H,27,35)(H,28,36)(H,38,39)
InChIKey	AHHBHDOBNNJFAK-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Mycolicibacterium smegmatis (ncbitaxon:1772)	-	PubMed (1107222)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Exochelin MS (CHEBI:197790) is a peptide (CHEBI:16670)

IUPAC Name
2-amino-5-[[2-[[2-amino-5-[3-[[2-amino-5-[ormyl(hydroxy)amino]pentanoyl]amino]propanoyl-hydroxyamino]pentanoyl]amino]-3-hydroxybutanoyl]-hydroxyamino]pentanoic acid

Manual Xrefs	Databases
78444476	ChemSpider