EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:175088 - Isomugineic acid

ChEBI IDCHEBI:175088
ChEBI NameIsomugineic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20N2O8
Net Charge0
Average Mass320.298
Monoisotopic Mass320.12197
SMILESO=C(O)C(O)CCNC(C(=O)O)C(O)CN1CCC1C(=O)O
InChIInChI=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)
InChIKeyGJRGEVKCJPPZIT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
2342314ChemSpider
HMDB0033555HMDB