Staphylopeptide A (CHEBI:200373)

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CHEBI:200373 - Staphylopeptide A

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ChEBI ID	CHEBI:200373
ChEBI Name	Staphylopeptide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H34N6O6
Net Charge	0
Average Mass	454.528
Monoisotopic Mass	454.25398
SMILES	CCC(C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC1=O
InChI	InChI=1S/C20H34N6O6/c1-5-10(4)16-20(32)25-12(7-14(21)27)18(30)23-11(6-9(2)3)17(29)24-13(8-15(22)28)19(31)26-16/h9-13,16H,5-8H2,1-4H3,(H2,21,27)(H2,22,28)(H,23,30)(H,24,29)(H,25,32)(H,26,31)/t10?,11-,12-,13-,16-/m0/s1
InChIKey	JVBWTKGWUGOPJG-IFUNHYKASA-N

Species of Metabolite	Component	Source	Comments
Staphylococcus (ncbitaxon:1279)	-	DOI (10.1016/j.phytol.2015.05.007)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Staphylopeptide A (CHEBI:200373) is a oligopeptide (CHEBI:25676)

IUPAC Name
2-[(2S,5S,8S,11S)-8-(2-amino-2-oxoethyl)-5-butan-2-yl-11-(2-methylpropyl)-3,6,9,12-tetraoxo-1,4,7,10-tetrazacyclododec-2-yl]acetamide

Manual Xrefs	Databases
40256875	ChemSpider