Isosulfazecin (CHEBI:219185)

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CHEBI:219185 - Isosulfazecin

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ChEBI ID	CHEBI:219185
ChEBI Name	Isosulfazecin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H20N4O9S
Net Charge	0
Average Mass	396.378
Monoisotopic Mass	396.09510
SMILES	CO[C@]1(NC(=O)[C@H](C)NC(=O)CC[C@@H](N)C(=O)O)CN(S(=O)(=O)O)C1=O
InChI	InChI=1S/C12H20N4O9S/c1-6(14-8(17)4-3-7(13)10(19)20)9(18)15-12(25-2)5-16(11(12)21)26(22,23)24/h6-7H,3-5,13H2,1-2H3,(H,14,17)(H,15,18)(H,19,20)(H,22,23,24)/t6-,7+,12+/m0/s1
InChIKey	MOBOUQJWGBVNCR-QRPMWFLTSA-N

Species of Metabolite	Component	Source	Comments
Pseudomonasspecies (ncbitaxon:306)	-	PubMed (7007891)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Isosulfazecin (CHEBI:219185) is a oligopeptide (CHEBI:25676)

IUPAC Name
(2R)-2-amino-5-[[(2S)-1-[[(3R)-3-methoxy-2-oxo-1-suloazetidin-3-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Manual Xrefs	Databases
34988084	ChemSpider