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CHEBI:38160 - 3''-deamino-3''-oxonicotianamine

Default Structure
ChEBI IDCHEBI:38160
ChEBI Name3''-deamino-3''-oxonicotianamine
Stars
Last Modified28 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC12H18N2O7
Net Charge0
Average Mass302.283
Monoisotopic Mass302.11140
SMILESO=C(O)C(=O)CCN[C@@H](CCN1CC[C@H]1C(=O)O)C(=O)O
InChIInChI=1S/C12H18N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-8,13H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-/m0/s1
InChIKeyPSBHIGYNXQIUQY-YUMQZZPRSA-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)
3''-deamino-3''-oxonicotianamine (CHEBI:38160) is a mugineic acids (CHEBI:25427)
3''-deamino-3''-oxonicotianamine (CHEBI:38160) is conjugate acid of 3''-deamino-3''-oxonicotianaminium(1−) (CHEBI:58685)
Incoming Relation(s)
3''-deamino-3''-oxonicotianaminium(1−) (CHEBI:58685) is conjugate base of 3''-deamino-3''-oxonicotianamine (CHEBI:38160)
IUPAC Name 
(2S)-1-{(3S)-3-carboxy-3-[(3-carboxy-3-oxopropyl)amino]propyl}azetidine-2-carboxylic acid
Manual XrefsDatabases
C15486KEGG COMPOUND
Registry NumbersSources
Beilstein:7825879Beilstein