KEGG   COMPOUND: C04079
Entry
C04079                      Compound                               
Name
N-((R)-Pantothenoyl)-L-cysteine;
D-Pantothenoyl-L-cysteine;
N-Pantothenoylcysteine
Formula
C12H22N2O6S
Exact mass
322.1199
Mol weight
322.38
Structure
Reaction
R02972 R04391
Pathway
map00770  Pantothenate and CoA biosynthesis
Enzyme
2.7.1.33        4.1.1.30
Other DBs
PubChem: 6773
ChEBI: 18416
NIKKAJI: J2.746.251K
LinkDB
KCF data

ATOM        21
            1   O1a O    17.9248  -17.2045
            2   C1b C    19.1312  -16.5080
            3   C1d C    20.3378  -17.2045
            4   C1c C    21.5442  -16.5080
            5   C5a C    22.7507  -17.2045
            6   N1b N    23.9573  -16.5080
            7   C1b C    25.1637  -17.2045
            8   C1b C    26.3702  -16.5080
            9   C5a C    27.5767  -17.2045
            10  N1b N    28.7832  -16.5080
            11  C1c C    29.9897  -17.2045
            12  C1b C    31.1962  -16.5080
            13  C1a C    19.2705  -18.1797
            14  C1a C    21.4621  -18.1199
            15  O1a O    21.5442  -15.1148
            16  O5a O    22.7507  -18.5976
            17  O5a O    27.5767  -18.5974
            18  S1a S    32.4272  -17.2191
            19  C6a C    29.9897  -18.5976
            20  O6a O    28.7725  -19.3004
            21  O6a O    31.1854  -19.2880
BOND        20
            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     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    3  13 1
            13    3  14 1
            14    4  15 1 #Up
            15    5  16 2
            16    9  17 2
            17   12  18 1
            18   11  19 1 #Up
            19   19  20 2
            20   19  21 1

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