CHEBI:229187 - Octopinic acid

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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 Octopinic acid
ChEBI ID CHEBI:229187
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C8H16N2O4
Net Charge 0
Average Mass 204.226
Monoisotopic Mass 204.11101
InChI InChI=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
InChIKey ZQKXJZFWRBQTIO-RITPCOANSA-N
SMILES OC(=O)[C@@H](N[C@H](C)C(O)=O)CCCN
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing Octopinic acid (CHEBI:229187) is a alanine derivative (CHEBI:22278)
IUPAC Name
(2S)-5-amino-2-[[(1R)-1-carboxyethyl]amino]pentanoic acid
Manual Xrefs Databases
32819331 ChemSpider
AQQ PDBeChem
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