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CHEBI:151 - D-threo-isocitric acid

ChEBI IDCHEBI:151
ChEBI NameD-threo-isocitric acid
Stars
ASCII NameD-threo-isocitric acid
DefinitionThe D-threo-diastereomer of isocitric acid.
Last Modified17 July 2014
DownloadsMolfile
FormulaC6H8O7
Net Charge0
Average Mass192.123
Monoisotopic Mass192.02700
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)/t2-,4+/m0/s1
InChIKeyODBLHEXUDAPZAU-ZAFYKAAXSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
fundamental metabolite  Any metabolite produced by all living cells.
ChEBI Ontology
Outgoing Relation(s)
D-threo-isocitric acid (CHEBI:151) is a isocitric acid (CHEBI:30887)
D-threo-isocitric acid (CHEBI:151) is conjugate acid of D-threo-isocitrate(3−) (CHEBI:15562)
D-threo-isocitric acid (CHEBI:151) is enantiomer of L-threo-isocitric acid (CHEBI:30889)
Incoming Relation(s)
D-threo-isocitrate(3−) (CHEBI:15562) is conjugate base of D-threo-isocitric acid (CHEBI:151)
L-threo-isocitric acid (CHEBI:30889) is enantiomer of D-threo-isocitric acid (CHEBI:151)
IUPAC Names 
(1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid
3-carboxy-2,3-dideoxy-L-threo-pentaric acid
Synonyms  Source
D-threo-Isocitric acidKEGG COMPOUND
ISOCITRIC ACIDPDBeChem
(+)-threo-isocitric acidHMDB
Manual XrefsDatabases
C00001188KNApSAcK
C00451KEGG COMPOUND
HMDB0001874HMDB
ICTPDBeChem
THREO-DS-ISO-CITRATEMetaCyc
Registry NumbersSources
Gmelin:1220309Gmelin
Reaxys:1727947Reaxys
CAS:6061-97-8KEGG COMPOUND
Citations