CHEBI:141669 - staphylopine(1−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name staphylopine(1−)
ChEBI ID CHEBI:141669
ChEBI ASCII Name staphylopine(1-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C13H19N4O6
Net Charge -1
Average Mass 327.314
Monoisotopic Mass 327.13101
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
SMILES N=1C(=CNC1)C[C@@H]([NH2+]CC[C@H]([NH2+]C(C([O-])=O)C)C(=O)[O-])C(=O)[O-]
ChEBI Ontology
Outgoing staphylopine(1−) (CHEBI:141669) is a organic molecular entity (CHEBI:50860)
Incoming (2S)-2-ammonio-4-{[(1R)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]ammonio}butanoate (CHEBI:141808) has functional parent staphylopine(1−) (CHEBI:141669)
Synonym Source
staphylopine UniProt
Manual Xref Database
CPD-21428 MetaCyc accession
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Citations Waiting for Citations Types Sources
27230378 PubMed citation SUBMITTER
29618515 PubMed citation SUBMITTER