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CHEBI:19274 - 2'-deoxymugineic acid

ChEBI IDCHEBI:19274
ChEBI Name2'-deoxymugineic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC12H20N2O7
Net Charge0
Average Mass304.299
Monoisotopic Mass304.12705
SMILESO=C(O)[C@H](CCN1CC[C@H]1C(=O)O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1
InChIKeyCUZKLRTTYZOCSD-CIUDSAMLSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2'-deoxymugineic acid (CHEBI:19274) has functional parent mugineic acid (CHEBI:25426)
2'-deoxymugineic acid (CHEBI:19274) is a tricarboxylic acid (CHEBI:27093)
2'-deoxymugineic acid (CHEBI:19274) is conjugate acid of 2'-deoxymugineate (CHEBI:58487)
Incoming Relation(s)
2'-deoxymugineate (CHEBI:58487) is conjugate base of 2'-deoxymugineic acid (CHEBI:19274)
IUPAC Name 
(2S)-1-[(3S)-3-carboxy-3-{[(3S)-3-carboxy-3-hydroxypropyl]amino}propyl]azetidine-2-carboxylic acid
Manual XrefsDatabases
C15485KEGG COMPOUND
Registry NumbersSources
Beilstein:5301911Beilstein
Beilstein:5301912Beilstein
CAS:74235-24-8ChemIDplus
CAS:74235-24-8KEGG COMPOUND