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CHEBI:229187 - Octopinic acid

ChEBI IDCHEBI:229187
ChEBI NameOctopinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H16N2O4
Net Charge0
Average Mass204.226
Monoisotopic Mass204.11101
SMILESC[C@@H](N[C@@H](CCCN)C(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-5(7(11)12)10-6(8(13)14)3-2-4-9/h5-6,10H,2-4,9H2,1H3,(H,11,12)(H,13,14)/t5-,6+/m1/s1
InChIKeyZQKXJZFWRBQTIO-RITPCOANSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Octopinic acid (CHEBI:229187) is a alanine derivative (CHEBI:22278)
IUPAC Name 
(2S)-5-amino-2-[[(1R)-1-carboxyethyl]amino]pentanoic acid
Manual XrefsDatabases
32819331ChemSpider
AQQPDBeChem