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CHEBI:58092 - N-phosphocreatinate(2−)

ChEBI IDCHEBI:58092
ChEBI NameN-phosphocreatinate(2−)
Stars
ASCII NameN-phosphocreatinate(2-)
DefinitionDianion of N-phosphocreatine arising from deprotonation of the phospho and carboxy groups and protonation of the guanidino group; major species at pH 7.3.
Last Modified8 July 2015
DownloadsMolfile
FormulaC4H8N3O5P
Net Charge-2
Average Mass209.098
Monoisotopic Mass209.02125
SMILESCN(CC(=O)[O-])C(=[NH2+])NP(=O)([O-])[O-]
InChIInChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)/p-2
InChIKeyDRBBFCLWYRJSJZ-UHFFFAOYSA-L
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N-phosphocreatinate(2−) (CHEBI:58092) has role human metabolite (CHEBI:77746)
N-phosphocreatinate(2−) (CHEBI:58092) is a organic phosphoramidate anion (CHEBI:60345)
N-phosphocreatinate(2−) (CHEBI:58092) is conjugate base of N-phosphocreatine (CHEBI:17287)
Incoming Relation(s)
N-phosphocreatine (CHEBI:17287) is conjugate acid of N-phosphocreatinate(2−) (CHEBI:58092)
IUPAC Name 
{[iminio(phosphonatoamino)methyl](methyl)amino}acetate
Synonyms  Source
N-phosphocreatinateChEBI
N-phosphocreatine dianionChEBI
UniProt Name  Source
N-phosphocreatineUniProt
Manual XrefsDatabases
CREATINE-PMetaCyc