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

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ChEBI Name 3-epi-3-hydroxymugineic acid
ChEBI ID CHEBI:20013
ChEBI ASCII Name 3-epi-3-hydroxymugineic acid
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H20N2O9
Net Charge 0
Average Mass 336.29528
Monoisotopic Mass 336.11688
InChI InChI=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
InChIKey QPIOQLJXMZWNFJ-LJASKYJCSA-N
SMILES O[C@@H](CN1C[C@H](O)[C@H]1C(O)=O)[C@H](NCC[C@H](O)C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 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 Xref Database
C15501 KEGG COMPOUND
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Registry Number Type Source
5886036 Beilstein Registry Number Beilstein
Last Modified
15 January 2019