Small Molecule isocitrate

URN urn:agi-cas:320-77-4
Total Entities 4
Connectivity 145
Name isocitrate

ChildConcepts methylcitrate
L-Isocitric acid
cryptoporic acid E
alpha-methylisocitrate

Pathway Tricarboxylic acid cycle
Glutathione metabolism
citrate cycle pathway
doxorubicin response pathway

Source ChemIDplus

Alias (1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate
3-Carboxy-2,3-dideoxy-1-hydroxypropan-1,2,3-tricarboxylate
3-carboxy-2,3-dideoxy-L-threo-pentaric acid
3-Carboxy-2,3-dideoxy-1-hydroxypropan-1,2,3-tricarboxylic acid
1-hydroxytricarballylic acid
1-hydroxypropane-1,2,3-tricarboxylic acid
1-hydroxypropane-1,2,3-tricarboxylate
1-Hydroxy-1,2,3-propanetricarboxylic acid
(1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid
1-Hydroxy-1,2,3-propanetricarboxylate
3-carboxy-2,3-dideoxy-Pentaric acid
D-isocitrate
DL-Isocitrate
DS-threo-isocitrate
DL-Isocitric acid
1-hydroxytricarballylate
1637-73-6
320-77-4
(+)-threo-isocitric acid
disodium salt of isocitric acid
EINECS 216-668-3
6061-97-8
isocitric acid, sodium salt
potassium salt of isocitric acid
isocitric acid, (11)C-labeled
3-carboxy-2,3-dideoxy-L-threo-pentarate
isocitric acid
Trisodium hydrogen 3-carboxylato-2,3-dideoxy-1-hydroxypropane-1,2,3-tricarboxylate
isocitrate
EINECS 206-282-3
D-threo-Isocitric acid
isocitric acid, calcium salt
isocitric acid, potassium salt
isocitric acid, disodium salt
DS-threo-isocitric acid
isocitric acid, trisodium salt
Threo-d-(+)-isocitrate
Threo-d-(+)-isocitric acid
Threo-DS(+)-isocitrate
Threo-isocitrate
D-threo-isocitrate
threo-d(s)-iso-citrate
(+)-threo-isocitrate
3-carboxy-2,3-dideoxy-Pentarate
Threo-DS(+)-isocitric acid
sodium salt of isocitric acid
trisodium salt of isocitric acid
(11)C-labeled isocitric acid
alpha hydroxytricarballylic acid
isocitrates
calcium salt of isocitric acid
(1s,2s)-1-hydroxypropane-1,2,3-tricarboxylate
threo-

KEGG ID C00451
C00311

MedScan ID 1254317

HMDB ID HMDB00193
HMDB01874

CAS ID 320-77-4
1637-73-6

PubChem SID 135048382
135124124
668200

PubChem CID 1198
168942

XLogP-AA -1.8

IUPAC Name 1-hydroxypropane-1,2,3-tricarboxylic acid
trisodium;1-hydroxypropane-1,2,3-tricarboxylate

InChIKey ODBLHEXUDAPZAU-UHFFFAOYSA-N
HWMVXEKEEAIYGB-UHFFFAOYSA-K

Rotatable Bond Count 5
2

Molecular Weight 192.123520
258.069008
192.123520

Molecular Formula C6H8O7
C6H5Na3O7

ChEBI ID 151
30887

Reaxys ID 1727945
1727946
1727947
1727948
1727949
1727950
1727951
2331959
6568909

LinkUrl http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1198

ChemIDplus ID 000320774