KEGG   DRUG: Sodium lauryl sulfate
Entry
D01045                      Drug                                   
Name
Sodium lauryl sulfate (JP18/NF)
Formula
C12H25O4S. Na
Exact mass
288.1371
Mol weight
288.3793
Structure
Simcomp
Remark
Same as: C11166
Efficacy
Pharmaceutic aid (surfactant)
Brite
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01045  Sodium lauryl sulfate
Other DBs
CAS: 151-21-3
PubChem: 7848108
ChEBI: 8984
LigandBox: D01045
NIKKAJI: J817F
KCF data

ATOM        18
            1   C1a C    34.9879  -15.4237
            2   C1b C    33.7961  -14.7227
            3   C1b C    32.6042  -15.4237
            4   C1b C    31.3424  -14.7227
            5   O2a O    30.1506  -15.4237
            6   S4a S    28.7486  -15.4237
            7   O1d O    28.7486  -16.8257
            8   O1d O    27.3464  -15.4237 #-
            9   O1d O    28.7486  -14.0216
            10  Z   Na   25.2328  -15.3469 #+
            11  C1b C    32.6042  -15.4237
            12  C1b C    31.3424  -14.7227
            13  C1b C    32.6042  -15.4237
            14  C1b C    31.3424  -14.7227
            15  C1b C    32.6042  -15.4237
            16  C1b C    31.3424  -14.7227
            17  C1b C    32.6042  -15.4237
            18  C1b C    31.3424  -14.7227
BOND        16
            1     1   2 1
            2     5   6 1
            3     6   7 2
            4     6   8 1
            5     6   9 2
            6     4   5 1
            7     3   4 1
            8     3  12 1
            9    11  12 1
            10   11  14 1
            11   13  14 1
            12   13  16 1
            13   15  16 1
            14   15  18 1
            15   17  18 1
            16   17   2 1
BRACKET     1    31.2200  -16.0300   31.2200  -14.3500
            1    32.8300  -14.3500   32.8300  -16.0300
            1  5
 ORIGINAL  1    3   4
 REPEAT    1   11  12  13  14  15  16  17  18

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Ontology (1)   
   KEGG BRITE (1)   
Drug (1)   
   LigandBox (1)   
Chemical substance (5)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
   NIKKAJI (1)   
All databases (7)   

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