Albisporachelin (CHEBI:213684)

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CHEBI:213684 - Albisporachelin

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ChEBI ID	CHEBI:213684
ChEBI Name	Albisporachelin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H39N7O10
Net Charge	0
Average Mass	561.593
Monoisotopic Mass	561.27584
SMILES	CN[C@@H](CCCN(O)C=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN(O)C=O)C(=O)N(C)[C@H]1CCCN(O)C1=O
InChI	InChI=1S/C22H39N7O10/c1-23-15(6-3-9-27(37)13-31)19(33)25-17(12-30)20(34)24-16(7-4-10-28(38)14-32)21(35)26(2)18-8-5-11-29(39)22(18)36/h13-18,23,30,37-39H,3-12H2,1-2H3,(H,24,34)(H,25,33)/t15-,16-,17-,18-/m0/s1
InChIKey	VJIWUTHTOFWQLT-XSLAGTTESA-N

Species of Metabolite	Component	Source	Comments
Amycolatopsis (ncbitaxon:1813)	-	PubMed (29875351)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Albisporachelin (CHEBI:213684) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-5-[ormyl(hydroxy)amino]-N-[(2S)-1-[[(2S)-5-[ormyl(hydroxy)amino]-1-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]-methylamino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-(methylamino)pentanamide

Manual Xrefs	Databases
71044416	ChemSpider