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CHEBI:229831 - (+)-allo-octopine

ChEBI IDCHEBI:229831
ChEBI Name(+)-allo-octopine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H18N4O4
Net Charge0
Average Mass246.267
Monoisotopic Mass246.13281
SMILESNC(N)=NCCCC(NCCC(=O)O)C(=O)O
InChIInChI=1S/C9H18N4O4/c10-9(11)13-4-1-2-6(8(16)17)12-5-3-7(14)15/h6,12H,1-5H2,(H,14,15)(H,16,17)(H4,10,11,13)
InChIKeyOHWCFZJEIHZWMN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
(+)-allo-octopine (CHEBI:229831) is a arginine derivative (CHEBI:22617)
IUPAC Name 
2-(2-carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid
Manual XrefsDatabases
389918ChemSpider