KEGG   COMPOUND: C04617
Entry
C04617                      Compound                               
Name
(1S,2S)-1-Hydroxypropane-1,2,3-tricarboxylate;
D-erythro-Isocitric acid
Formula
C6H8O7
Exact mass
192.027
Mol weight
192.1235
Structure
Reaction
R02318
Enzyme
5.1.2.6
Other DBs
CAS: 30810-51-6
PubChem: 7207
ChEBI: 15563 160
PDB-CCD: N81[PDBj]
NIKKAJI: J1.823.595A
LinkDB
KCF data

ATOM        13
            1   O6a O    17.6400  -20.0200
            2   C6a C    18.8300  -19.3200
            3   C1b C    20.0900  -20.0200
            4   C1c C    21.2800  -19.3200
            5   C1c C    22.4700  -20.0200
            6   C6a C    23.7300  -19.3200
            7   O6a O    24.9200  -20.0200
            8   O6a O    18.8300  -17.9200
            9   C6a C    21.2800  -17.9200
            10  O1a O    22.4700  -21.4200
            11  O6a O    23.7300  -17.9200
            12  O6a O    22.4700  -17.2200
            13  O6a O    20.0900  -17.2200
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 #Up
            10    6  11 2
            11    9  12 2
            12    9  13 1

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