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

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ChEBI Name	3''-deamino-3''-oxonicotianamine

ChEBI ID	CHEBI:38160

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C12H18N2O7

Net Charge

Average Mass

302.28060

Monoisotopic Mass

302.11140

InChI

InChI=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

InChIKey

PSBHIGYNXQIUQY-YUMQZZPRSA-N

SMILES

OC(=O)[C@H](CCN1CC[C@H]1C(O)=O)NCCC(=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. (via mugineic acids ) 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. (via mugineic acids )

ChEBI Ontology
Outgoing	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	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

Registry Number	Type	Source
7825879	Beilstein Registry Number	Beilstein

Last Modified

28 July 2014