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
402.36
Structure
Reaction
R03269 R04230 R04231 R04391
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]
NIKKAJI: J1.572.366A
LinkDB
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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