KEGG   COMPOUND: C00831Help
Entry
C00831                      Compound                               

Name
Pantetheine;
(R)-Pantetheine
Formula
C11H22N2O4S
Exact mass
278.13
Mol weight
278.3684
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00332  Carbapenem biosynthesis
map00770  Pantothenate and CoA biosynthesis
map01130  Biosynthesis of antibiotics
Enzyme
2.7.1.33        2.7.1.34        3.1.3.-         3.5.1.92        
4.1.1.30
Other DBs
CAS: 496-65-1
PubChem: 4089
ChEBI: 16753
ChEMBL: CHEMBL1738861
PDB-CCD: PNY[PDBj]
3DMET: B00185
NIKKAJI: J15.187D
LinkDB All DBs
KCF data Show

ATOM        18
            1   O1a O    17.5000  -20.5800
            2   C1b C    18.7124  -19.8800
            3   C1d C    19.9249  -20.5800
            4   C1c C    21.1373  -19.8800
            5   C5a C    22.3497  -20.5800
            6   N1b N    23.5622  -19.8800
            7   C1b C    24.7746  -20.5800
            8   C1b C    25.9870  -19.8800
            9   C5a C    27.1995  -20.5800
            10  N1b N    28.4119  -19.8800
            11  C1b C    29.6244  -20.5800
            12  C1b C    30.8368  -19.8800
            13  S1a S    32.0492  -20.5800
            14  O1a O    21.1373  -18.4800
            15  O5a O    22.3497  -21.9799
            16  O5a O    27.1995  -21.9797
            17  C1a C    18.9349  -21.5699
            18  C1a C    20.9148  -21.5699
BOND        17
            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   12  13 1
            13    4  14 1 #Up
            14    5  15 2
            15    9  16 2
            16    3  17 1
            17    3  18 1

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