Octopinic acid (CHEBI:229187)

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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

Download	Molfile XML SDF

Formula

C8H16N2O4

Net Charge

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