KEGG   COMPOUND: C04352
Entry
C04352                      Compound                               
Name
(R)-4'-Phosphopantothenoyl-L-cysteine;
N-[(R)-4'-Phosphopantothenoyl]-L-cysteine
Formula
C12H23N2O9PS
Exact mass
402.0862
Mol weight
402.3578
Structure
Reaction
Pathway
map00770  Pantothenate and CoA biosynthesis
map01100  Metabolic pathways
map01240  Biosynthesis of cofactors
Module
M00120  Coenzyme A biosynthesis, pantothenate => CoA
M00914  Coenzyme A biosynthesis, archaea, 2-oxoisovalerate => 4-phosphopantoate => CoA
Enzyme
2.7.1.33        4.1.1.36        6.3.2.5         6.3.2.51
Other DBs
PubChem: 7001
ChEBI: 15769
KNApSAcK: C00019633
PDB-CCD: 9Z3[PDBj]
3DMET: B01735
NIKKAJI: J1.572.366A
KCF data

ATOM        25
            1   C1c C    23.7949  -15.2189
            2   C1d C    22.6172  -15.8979
            3   C5a C    24.9661  -15.8979
            4   O1a O    23.7949  -13.8667
            5   C1b C    21.4459  -15.2189
            6   C1a C    21.6826  -16.8841
            7   N1b N    26.3931  -15.1441
            8   O5a O    24.9661  -17.2499
            9   O2b O    20.1981  -15.8278
            10  P1b P    18.8461  -15.8278
            11  O1c O    17.4878  -15.8278
            12  O1c O    18.8461  -14.4695
            13  O1c O    18.8461  -17.1798
            14  C1a C    23.6197  -16.8079
            15  C1b C    27.6024  -15.8200
            16  C1b C    28.8149  -15.1200
            17  C5a C    30.0273  -15.8200
            18  N1b N    31.2397  -15.1200
            19  C1c C    32.4522  -15.8200
            20  C1b C    33.6646  -15.1200
            21  S1a S    34.8770  -15.8200
            22  O5a O    30.0273  -17.2200
            23  C6a C    32.4522  -17.2197
            24  O6a O    33.6854  -17.9320
            25  O6a O    31.2606  -17.9078
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     5   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 1
            12   10  13 2
            13    2  14 1
            14    7  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   17  22 2
            22   19  23 1 #Up
            23   23  24 1
            24   23  25 2

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