Scabichelin (CHEBI:205469)

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CHEBI:205469 - Scabichelin

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ChEBI ID	CHEBI:205469
ChEBI Name	Scabichelin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H49N9O10
Net Charge	0
Average Mass	647.731
Monoisotopic Mass	647.36024
SMILES	CN[C@@H](CCCN(O)C(=O)[C@H](CO)NC(=O)[C@H](CCCN(O)C=O)NC)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]1CCCN(O)C1=O
InChI	InChI=1S/C26H49N9O10/c1-28-17(8-4-12-33(43)16-37)23(39)32-21(15-36)26(42)35(45)13-5-9-18(29-2)22(38)30-19(7-3-11-27)24(40)31-20-10-6-14-34(44)25(20)41/h16-21,28-29,36,43-45H,3-15,27H2,1-2H3,(H,30,38)(H,31,40)(H,32,39)/t17-,18-,19-,20+,21-/m0/s1
InChIKey	DEKBNEJVCTWZQD-FCMAGTKHSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (23752895)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Scabichelin (CHEBI:205469) is a oligopeptide (CHEBI:25676)

IUPAC Name
(2S)-5-amino-2-[[(2S)-5-[[(2S)-2-[[(2S)-5-[ormyl(hydroxy)amino]-2-(methylamino)pentanoyl]amino]-3-hydroxypropanoyl]-hydroxyamino]-2-(methylamino)pentanoyl]amino]-N-[(3R)-1-hydroxy-2-oxopiperidin-3-yl]pentanamide

Manual Xrefs	Databases
78440219	ChemSpider