EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:30897 - L-erythro-isocitrate(3−)

ChEBI IDCHEBI:30897
ChEBI NameL-erythro-isocitrate(3−)
Stars
ASCII NameL-erythro-isocitrate(3-)
DefinitionAn isocitrate(3−) that is the conjugate base of L-erythro-isocitric acid.
Last Modified1 September 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H5O7
Net Charge-3
Average Mass189.099
Monoisotopic Mass189.00517
SMILESO=C([O-])C[C@@H](C(=O)[O-])[C@@H](O)C(=O)[O-]
InChIInChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3/t2-,4-/m1/s1
InChIKeyODBLHEXUDAPZAU-VVJJHMBFSA-K
Roles Classification
Biological Roles:
fundamental metabolite  Any metabolite produced by all living cells.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
L-erythro-isocitrate(3−) (CHEBI:30897) has role fundamental metabolite (CHEBI:78675)
L-erythro-isocitrate(3−) (CHEBI:30897) is a isocitrate(3−) (CHEBI:16087)
L-erythro-isocitrate(3−) (CHEBI:30897) is conjugate base of L-erythro-isocitric acid (CHEBI:43291)
L-erythro-isocitrate(3−) (CHEBI:30897) is enantiomer of D-erythro-isocitrate(3−) (CHEBI:15563)
Incoming Relation(s)
L-erythro-isocitric acid (CHEBI:43291) is conjugate acid of L-erythro-isocitrate(3−) (CHEBI:30897)
D-erythro-isocitrate(3−) (CHEBI:15563) is enantiomer of L-erythro-isocitrate(3−) (CHEBI:30897)
IUPAC Name 
(1R,2R)-1-hydroxypropane-1,2,3-tricarboxylate