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CHEBI:38153 - (R,R,R)-avenic acid A

ChEBI IDCHEBI:38153
ChEBI Name(R,R,R)-avenic acid A
Stars
ASCII Name(R,R,R)-avenic acid A
Last Modified25 April 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC12H22N2O8
Net Charge0
Average Mass322.314
Monoisotopic Mass322.13762
SMILESO=C(O)[C@H](O)CCN[C@H](CCN[C@H](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)/t7-,8-,9-/m1/s1
InChIKeyQUKMQOBHQMWLLR-IWSPIJDZSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(R,R,R)-avenic acid A (CHEBI:38153) is a avenic acid A (CHEBI:22678)
(R,R,R)-avenic acid A (CHEBI:38153) is enantiomer of (S,S,S)-avenic acid A (CHEBI:38154)
Incoming Relation(s)
(S,S,S)-avenic acid A (CHEBI:38154) is enantiomer of (R,R,R)-avenic acid A (CHEBI:38153)
IUPAC Name 
N-[(3R)-3-carboxy-3-{[(3R)-3-carboxy-3-hydroxypropyl]amino}propyl]-D-homoserine
Registry NumbersSources
Beilstein:5298478Beilstein