staphylopine(1-) (CHEBI:141669)

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CHEBI:141669 - staphylopine(1−)

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ChEBI ID	CHEBI:141669
ChEBI Name	staphylopine(1−)
Stars
ASCII Name	staphylopine(1-)
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C13H19N4O6
Net Charge	-1
Average Mass	327.317
Monoisotopic Mass	327.13101
SMILES	CC([NH2+][C@@H](CC[NH2+][C@H](Cc1cncn1)C(=O)[O-])C(=O)[O-])C(=O)[O-]
InChI	InChI=1S/C13H20N4O6/c1-7(11(18)19)17-9(12(20)21)2-3-15-10(13(22)23)4-8-5-14-6-16-8/h5-7,9-10,15,17H,2-4H2,1H3,(H,14,16)(H,18,19)(H,20,21)(H,22,23)/p-1/t7?,9-,10+/m0/s1
InChIKey	WLNNYKMTYVPSDL-VYDKEIKOSA-M

ChEBI Ontology

Outgoing Relation(s)
	staphylopine(1−) (CHEBI:141669) is a organic molecular entity (CHEBI:50860)
Incoming Relation(s)
	(2S)-2-ammonio-4-{[(1R)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]ammonio}butanoate (CHEBI:141808) has functional parent staphylopine(1−) (CHEBI:141669)

UniProt Name	Source
staphylopine	UniProt

Manual Xrefs	Databases
CPD-21428	MetaCyc

Citations