KEGG   COMPOUND: C22216
Entry
C22216                      Compound                               

Name
Cytidine 5'-{[hydroxy(2-hydroxyethyl)phosphonoyl]phosphate};
HEP-CMP
Formula
C11H19N3O11P2
Exact mass
431.0495
Mol weight
431.2296
Structure
Reaction
Pathway
map00998  Biosynthesis of various secondary metabolites - part 2
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00903  Fosfomycin biosynthesis, phosphoenolpyruvate => fosfomycin
Enzyme
Other DBs
PubChem: 405226407
PDB-CCD: 7XL[PDBj]
LinkDB
KCF data

ATOM        27
            1   C1y C    21.2465  -16.2604
            2   O2x O    20.1951  -15.4894
            3   C1y C    20.8259  -17.6622
            4   C1y C    19.0036  -16.3305
            5   C1y C    19.4241  -17.6622
            6   O1a O    21.6670  -18.7837
            7   C1b C    17.6719  -15.9099
            8   O1a O    18.5830  -18.7837
            9   O2b O    16.6205  -16.8211
            10  P1b P    15.2187  -16.8211
            11  O2c O    13.8168  -16.8211
            12  O1c O    15.2187  -18.2229
            13  O1c O    15.2187  -15.4193
            14  P1b P    12.4851  -16.8211
            15  O1c O    12.4851  -18.2229
            16  O1c O    12.4851  -15.4193
            17  N4y N    22.5782  -15.8398
            18  C8y C    23.8399  -16.5407
            19  C8x C    22.5782  -14.4380
            20  N5x N    25.0314  -15.7697
            21  O5x O    23.8399  -17.9426
            22  C8x C    23.7698  -13.7371
            23  C8y C    25.0314  -14.3679
            24  N1a N    26.2230  -13.6670
            25  C1b C    11.0851  -16.8211
            26  C1b C     9.8727  -17.5211
            27  O1a O     8.6491  -16.8149
BOND        28
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1 #Down
            6     4   7 1 #Up
            7     5   8 1 #Down
            8     7   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 1
            12   10  13 2
            13   11  14 1
            14   14  15 1
            15   14  16 2
            16    4   5 1
            17    1  17 1 #Up
            18   17  18 1
            19   17  19 1
            20   18  20 1
            21   18  21 2
            22   19  22 2
            23   20  23 2
            24   23  24 1
            25   22  23 1
            26   14  25 1
            27   25  26 1
            28   26  27 1

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