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CHEBI:22678 - avenic acid A

ChEBI IDCHEBI:22678
ChEBI Nameavenic acid A
Stars
Last Modified25 April 2007
DownloadsMolfile
FormulaC12H22N2O8
Net Charge0
Average Mass322.314
Monoisotopic Mass322.13762
SMILESO=C(O)C(O)CCNC(CCNC(CCO)C(=O)O)C(=O)O
InChIInChI=1S/C12H22N2O8/c15-6-3-8(11(19)20)13-4-1-7(10(17)18)14-5-2-9(16)12(21)22/h7-9,13-16H,1-6H2,(H,17,18)(H,19,20)(H,21,22)
InChIKeyQUKMQOBHQMWLLR-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
avenic acid A (CHEBI:22678) has role iron(3+) chelator (CHEBI:24028)
avenic acid A (CHEBI:22678) is a tricarboxylic acid (CHEBI:27093)
Incoming Relation(s)
(R,R,R)-avenic acid A (CHEBI:38153) is a avenic acid A (CHEBI:22678)
(S,S,S)-avenic acid A (CHEBI:38154) is a avenic acid A (CHEBI:22678)
IUPAC Name 
N-{3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl}homoserine
Synonym  Source
AVAChEBI
Registry NumbersSources
Beilstein:4539525Beilstein