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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S,S,S)-avenic acid A
ChEBI ID CHEBI:38154
ChEBI ASCII Name (S,S,S)-avenic acid A
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H22N2O8
Net Charge 0
Average Mass 322.31176
Monoisotopic Mass 322.13762
InChI InChI=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
InChIKey QUKMQOBHQMWLLR-CIUDSAMLSA-N
SMILES OCC[C@H](NCC[C@H](NCC[C@H](O)C(O)=O)C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): phytosiderophore
Any of low-molecular-mass iron(3)-chelating compounds produced by plants for the purpose of the transport and sequestration of iron.
iron(3+) chelator

(via avenic acid A )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): phytosiderophore
Any of low-molecular-mass iron(3)-chelating compounds produced by plants for the purpose of the transport and sequestration of iron.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 Numbers Types Sources
5298479 Beilstein Registry Number Beilstein
5298480 Beilstein Registry Number Beilstein
Last Modified
25 April 2007