EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:145989 - 3-phosphonatoshikimate(3−)

ChEBI IDCHEBI:145989
ChEBI Name3-phosphonatoshikimate(3−)
Stars
ASCII Name3-phosphonatoshikimate(3-)
DefinitionTrianion of 3-phosphoshikimic acid arising from deprotonation of the phosphate and carboxy groups; major species at pH 7.3.
Last Modified21 January 2016
DownloadsMolfile
FormulaC7H8O8P
Net Charge-3
Average Mass251.107
Monoisotopic Mass250.99732
SMILESO=C([O-])C1=C[C@@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)C1
InChIInChI=1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/p-3/t4-,5-,6+/m1/s1
InChIKeyQYOJSKGCWNAKGW-PBXRRBTRSA-K
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
3-phosphonatoshikimate(3−) (CHEBI:145989) has functional parent shikimate (CHEBI:36208)
3-phosphonatoshikimate(3−) (CHEBI:145989) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
3-phosphonatoshikimate(3−) (CHEBI:145989) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
3-phosphonatoshikimate(3−) (CHEBI:145989) is a organophosphate oxoanion (CHEBI:58945)
3-phosphonatoshikimate(3−) (CHEBI:145989) is conjugate base of 3-phosphoshikimic acid (CHEBI:17052)
Incoming Relation(s)
3-phosphoshikimic acid (CHEBI:17052) is conjugate acid of 3-phosphonatoshikimate(3−) (CHEBI:145989)
IUPAC Name 
rel-(3R,4S,5R)-4,5-dihydroxy-3-(phosphonatooxy)cyclohex-1-ene-1-carboxylate
Synonym  Source
3-phosphonatoshikimate trianionChEBI
UniProt Name  Source
3-phosphoshikimateUniProt
Registry NumbersSources
Beilstein:4882573Beilstein