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CHEBI:168140 - Distichonic acid A

ChEBI IDCHEBI:168140
ChEBI NameDistichonic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H18N2O8
Net Charge0
Average Mass294.260
Monoisotopic Mass294.10632
SMILESO=C(O)CNCC(O)C(NCCC(O)C(=O)O)C(=O)O
InChIInChI=1S/C10H18N2O8/c13-5(9(17)18)1-2-12-8(10(19)20)6(14)3-11-4-7(15)16/h5-6,8,11-14H,1-4H2,(H,15,16)(H,17,18)(H,19,20)
InChIKeySEATYFZPTMHEIW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Distichonic acid A (CHEBI:168140) has functional parent γ-amino acid (CHEBI:33707)
Distichonic acid A (CHEBI:168140) is a organonitrogen compound (CHEBI:35352)
Distichonic acid A (CHEBI:168140) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[(3-carboxy-3-hydroxypropyl)amino]-4-(carboxymethylamino)-3-hydroxybutanoic acid
Manual XrefsDatabases
35014653ChemSpider
HMDB0038752HMDB