CHEBI:77826 - mugineate(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name mugineate(1−)
ChEBI ID CHEBI:77826
ChEBI ASCII Name mugineate(1-)
Definition A tricarboxylic acid anion that is the conjugate base of mugineic acid. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C12H19N2O8
Net Charge -1
Average Mass 319.28840
Monoisotopic Mass 319.11469
InChI InChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-9(12(21)22)8(16)5-14-4-2-6(14)10(17)18/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)/p-1/t6-,7-,8-,9-/m0/s1
InChIKey GJRGEVKCJPPZIT-JBDRJPRFSA-M
SMILES O[C@@H](C[NH+]1CC[C@H]1C([O-])=O)[C@H]([NH2+]CC[C@H](O)C([O-])=O)C([O-])=O
ChEBI Ontology
Outgoing mugineate(1−) (CHEBI:77826) is a tricarboxylic acid anion (CHEBI:35753)
mugineate(1−) (CHEBI:77826) is conjugate acid of mugineate(2−) (CHEBI:58505)
mugineate(1−) (CHEBI:77826) is conjugate base of mugineic acid (CHEBI:25426)
Incoming mugineic acid (CHEBI:25426) is conjugate acid of mugineate(1−) (CHEBI:77826)
mugineate(2−) (CHEBI:58505) is conjugate base of mugineate(1−) (CHEBI:77826)
IUPAC Name
(2S)-1-[(2S,3S)-3-carboxylato-3-{[(3S)-3-carboxylato-3-hydroxypropyl]azaniumyl}-2-hydroxypropyl]azetidinium-2-carboxylate
Synonym Source
mugineate UniProt
Last Modified
06 June 2014