Microsporin A (CHEBI:226740)

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CHEBI:226740 - Microsporin A

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ChEBI ID	CHEBI:226740
ChEBI Name	Microsporin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H40N4O5
Net Charge	0
Average Mass	512.651
Monoisotopic Mass	512.29987
SMILES	CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O
InChI	InChI=1S/C28H40N4O5/c1-3-21(33)14-8-5-9-15-22-26(35)29-19(2)25(34)31-23(18-20-12-6-4-7-13-20)28(37)32-17-11-10-16-24(32)27(36)30-22/h4,6-7,12-13,19,22-24H,3,5,8-11,14-18H2,1-2H3,(H,29,35)(H,30,36)(H,31,34)/t19-,22-,23-,24+/m0/s1
InChIKey	DEUCVOIWOGPZGS-ZNEWLNCYSA-N

Species of Metabolite	Component	Source	Comments
Microsporum (ncbitaxon:34392)	-	DOI (10.1016/j.tet.2007.04.025)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Microsporin A (CHEBI:226740) is a oligopeptide (CHEBI:25676)

IUPAC Name
(3S,6S,9S,12R)-3-benzyl-6-methyl-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone

Manual Xrefs	Databases
23076377	ChemSpider