KEGG   COMPOUND: C00451
Entry
C00451                      Compound                               

Name
(1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate;
D-threo-Isocitric acid
Formula
C6H8O7
Exact mass
192.027
Mol weight
192.1235
Structure
Reaction
Enzyme
Other DBs
CAS: 6061-97-8
PubChem: 3739
ChEBI: 151 15562
ChEMBL: CHEMBL390356
KNApSAcK: C00001188
PDB-CCD: ICT[PDBj]
NIKKAJI: J8.341K
KCF data

ATOM        13
            1   O6a O    21.4900  -17.9900
            2   C6a C    22.6800  -17.2900
            3   C1b C    23.9400  -17.9900
            4   C1c C    25.1300  -17.2900
            5   C1c C    26.3200  -17.9900
            6   C6a C    27.5800  -17.2900
            7   O6a O    28.7700  -17.9900
            8   O6a O    22.6800  -15.8900
            9   C6a C    25.1300  -15.8900
            10  O1a O    26.3200  -19.3900
            11  O6a O    27.5800  -15.8900
            12  O6a O    26.3200  -15.1200
            13  O6a O    23.9400  -15.1200
BOND        12
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     2   8 2
            8     4   9 1 #Down
            9     5  10 1 #Down
            10    6  11 2
            11    9  12 2
            12    9  13 1

» Japanese version

DBGET integrated database retrieval system