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CHEBI:20013 - 3-epi-3-hydroxymugineic acid

ChEBI IDCHEBI:20013
ChEBI Name3-epi-3-hydroxymugineic acid
Stars
ASCII Name3-epi-3-hydroxymugineic acid
Last Modified15 January 2019
DownloadsMolfile
FormulaC12H20N2O9
Net Charge0
Average Mass336.297
Monoisotopic Mass336.11688
SMILESO=C(O)[C@@H](NCC[C@H](O)C(=O)O)[C@@H](O)CN1C[C@H](O)[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O9/c15-5(10(18)19)1-2-13-8(11(20)21)6(16)3-14-4-7(17)9(14)12(22)23/h5-9,13,15-17H,1-4H2,(H,18,19)(H,20,21)(H,22,23)/t5-,6-,7-,8-,9-/m0/s1
InChIKeyQPIOQLJXMZWNFJ-LJASKYJCSA-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)
3-epi-3-hydroxymugineic acid (CHEBI:20013) has functional parent mugineic acid (CHEBI:25426)
3-epi-3-hydroxymugineic acid (CHEBI:20013) is a tricarboxylic acid (CHEBI:27093)
3-epi-3-hydroxymugineic acid (CHEBI:20013) is conjugate acid of 3-epi-3-hydroxymugineate(2−) (CHEBI:58488)
Incoming Relation(s)
3-epi-3-hydroxymugineate(2−) (CHEBI:58488) is conjugate base of 3-epi-3-hydroxymugineic acid (CHEBI:20013)
IUPAC Name 
4-[(2S,3S)-2-carboxy-3-hydroxyazetidin-1-yl]-N-[(3S)-3-carboxy-3-hydroxypropyl]-L-allothreonine
Manual XrefsDatabases
C15501KEGG COMPOUND
Registry NumbersSources
Beilstein:5886036Beilstein