Isomugineic acid (CHEBI:175088)

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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	Isomugineic acid

ChEBI ID	CHEBI:175088

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H20N2O8

Net Charge

Average Mass

320.298

Monoisotopic Mass

320.12197

InChI

InChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-9(12(21)22)8(16)5-14-4-2-6(14)10(17)18/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)

InChIKey

GJRGEVKCJPPZIT-UHFFFAOYSA-N

SMILES

OC(CN1C(CC1)C(O)=O)C(NCCC(O)C(O)=O)C(O)=O

ChEBI Ontology
Outgoing	Isomugineic acid (CHEBI:175088) has functional parent γ-amino acid (CHEBI:33707) Isomugineic acid (CHEBI:175088) is a organonitrogen compound (CHEBI:35352) Isomugineic acid (CHEBI:175088) is a organooxygen compound (CHEBI:36963)

IUPAC Name

1-[3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]-2-hydroxypropyl]azetidine-2-carboxylic acid