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CHEBI:38159 - 3-epi-3-hydroxy-2'-deoxymugineic acid

ChEBI IDCHEBI:38159
ChEBI Name3-epi-3-hydroxy-2'-deoxymugineic acid
Stars
ASCII Name3-epi-3-hydroxy-2'-deoxymugineic acid
Last Modified18 May 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC12H20N2O8
Net Charge0
Average Mass320.298
Monoisotopic Mass320.12197
SMILESO=C(O)[C@H](CCN1C[C@H](O)[C@H]1C(=O)O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-6(10(17)18)2-4-14-5-8(16)9(14)12(21)22/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)/t6-,7-,8-,9-/m0/s1
InChIKeyUQYFTKWTXJZWBK-JBDRJPRFSA-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-epi-3-hydroxy-2'-deoxymugineic acid (CHEBI:38159) has functional parent mugineic acid (CHEBI:25426)
3-epi-3-hydroxy-2'-deoxymugineic acid (CHEBI:38159) is a mugineic acids (CHEBI:25427)
3-epi-3-hydroxy-2'-deoxymugineic acid (CHEBI:38159) is conjugate acid of 3-epi-3-hydroxy-2'-deoxymugineate (CHEBI:58684)
Incoming Relation(s)
3-epi-3-hydroxy-2'-deoxymugineate (CHEBI:58684) is conjugate base of 3-epi-3-hydroxy-2'-deoxymugineic acid (CHEBI:38159)
IUPAC Name 
(2S,3S)-1-[(3S)-3-carboxy-3-{[(3S)-3-carboxy-3-hydroxypropyl]amino}propyl]-3-hydroxyazetidine-2-carboxylic acid
Manual XrefsDatabases
C15502KEGG COMPOUND