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CHEBI:38154 - (S,S,S)-avenic acid A

ChEBI IDCHEBI:38154
ChEBI Name(S,S,S)-avenic acid A
Stars
ASCII Name(S,S,S)-avenic acid A
Last Modified25 April 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC12H22N2O8
Net Charge0
Average Mass322.314
Monoisotopic Mass322.13762
SMILESO=C(O)[C@H](CCO)NCC[C@H](NCC[C@H](O)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-/m0/s1
InChIKeyQUKMQOBHQMWLLR-CIUDSAMLSA-N
Roles Classification
Chemical Roles:
phytosiderophore  Any of low-molecular-mass iron(III)-chelating compounds produced by plants for the purpose of the transport and sequestration of iron.
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).
Biological Role:
phytosiderophore  Any of low-molecular-mass iron(III)-chelating compounds produced by plants for the purpose of the transport and sequestration of iron.
ChEBI Ontology
Outgoing Relation(s)
(S,S,S)-avenic acid A (CHEBI:38154) has role phytosiderophore (CHEBI:38155)
(S,S,S)-avenic acid A (CHEBI:38154) is a avenic acid A (CHEBI:22678)
(S,S,S)-avenic acid A (CHEBI:38154) is enantiomer of (R,R,R)-avenic acid A (CHEBI:38153)
Incoming Relation(s)
(R,R,R)-avenic acid A (CHEBI:38153) is enantiomer of (S,S,S)-avenic acid A (CHEBI:38154)
IUPAC Name 
N-[(3S)-3-carboxy-3-{[(3S)-3-carboxy-3-hydroxypropyl]amino}propyl]-L-homoserine
Registry NumbersSources
Beilstein:5298480Beilstein
Beilstein:5298479Beilstein