Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:30887 - isocitric acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
isocitric acid
ChEBI ID
CHEBI:30887
Definition
A tricarboxylic acid that is propan-1-ol with a hydrogen at each of the 3 carbon positions replaced by a carboxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:5998, CHEBI:24886
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
License
Read full article at Wikipedia
Formula
C6H8O7
Net Charge
0
Average Mass
192.12352
Monoisotopic Mass
192.02700
InChI
InChI=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)
InChIKey
ODBLHEXUDAPZAU-UHFFFAOYSA-N
SMILES
OC(C(CC(O)=O)C(O)=O)C(O)=O
Metabolite of Species
Details
Chlamydomonas reinhardtii
(NCBI:txid3055)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
fundamental metabolite
Any metabolite produced by all living cells.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
isocitric acid (
CHEBI:30887
)
has role
fundamental metabolite (
CHEBI:78675
)
isocitric acid (
CHEBI:30887
)
is a
secondary alcohol (
CHEBI:35681
)
isocitric acid (
CHEBI:30887
)
is a
tricarboxylic acid (
CHEBI:27093
)
isocitric acid (
CHEBI:30887
)
is conjugate acid of
isocitrate(1−) (
CHEBI:36454
)
Incoming
2-caffeoylisocitric acid (
CHEBI:16166
)
has functional parent
isocitric acid (
CHEBI:30887
)
methylisocitric acid (
CHEBI:25311
)
has functional parent
isocitric acid (
CHEBI:30887
)
D
-
erythro
-isocitric acid (
CHEBI:160
)
is a
isocitric acid (
CHEBI:30887
)
D
-
threo
-isocitric acid (
CHEBI:151
)
is a
isocitric acid (
CHEBI:30887
)
L
-
erythro
-isocitric acid (
CHEBI:43291
)
is a
isocitric acid (
CHEBI:30887
)
L
-
threo
-isocitric acid (
CHEBI:30889
)
is a
isocitric acid (
CHEBI:30887
)
isocitrate(1−) (
CHEBI:36454
)
is conjugate base of
isocitric acid (
CHEBI:30887
)
IUPAC Names
1-hydroxypropane-1,2,3-tricarboxylic acid
3-carboxy-2,3-dideoxypentaric acid
Synonyms
Sources
1-Hydroxypropane-1,2,3-tricarboxylic acid
KEGG COMPOUND
1-Hydroxytricarballylic acid
KEGG COMPOUND
Isocitric acid
KEGG COMPOUND
Manual Xrefs
Databases
C00001188
KNApSAcK
C00311
KEGG COMPOUND
DB01727
DrugBank
ECMDB04088
ECMDB
HMDB0000193
HMDB
Isocitrate
MetaCyc
Isocitric_acid
Wikipedia
YMDB00026
YMDB
View more database links
Registry Numbers
Types
Sources
1727945
Reaxys Registry Number
Reaxys
320-77-4
CAS Registry Number
KEGG COMPOUND
320-77-4
CAS Registry Number
ChemIDplus
Citations
Types
Sources
17439666
PubMed citation
Europe PMC
23989918
PubMed citation
Europe PMC
24702026
PubMed citation
Europe PMC
Last Modified
08 November 2018