KEGG DRUG: Cetyl palmitate

DRUG: Cetyl palmitate

Entry

D08888                      Drug

Name

Cetyl palmitate (NF)

Formula

C32H64O2

Exact mass

480.4906

Mol weight

480.8494

Structure

Simcomp

Efficacy

Pharmaceutic aid (ointment base)

Other DBs

CAS:

540-10-3

PubChem:

ChEBI:

LigandBox:

NIKKAJI:

LinkDB

KCF data

ATOM        34
            1   C1a C     8.9812  -16.1242
            2   C1b C    10.2376  -15.4262
            3   C1b C    11.4242  -16.1242
            4   C1b C    12.6108  -15.4262
            5   C1b C    13.7974  -16.1242
            6   C1b C    15.0538  -15.4262
            7   C1b C    16.2403  -16.1242
            8   C1b C    17.4269  -15.4262
            9   C1b C    18.6135  -16.1242
            10  C1b C    19.8699  -15.4262
            11  C1b C    21.0565  -16.1242
            12  C1b C    22.2431  -15.4262
            13  C1b C    23.4297  -16.1242
            14  C1b C    24.6163  -15.4262
            15  C1b C    25.8726  -16.1242
            16  C7a C    27.0592  -15.4262
            17  O7a O    28.2458  -16.1242
            18  C1a C    10.1688  -18.4276
            19  C1b C    11.4252  -17.7296
            20  C1b C    12.6118  -18.4276
            21  C1b C    13.7984  -17.7296
            22  C1b C    14.9850  -18.4276
            23  C1b C    16.2413  -17.7296
            24  C1b C    17.4279  -18.4276
            25  C1b C    18.6145  -17.7296
            26  C1b C    19.8011  -18.4276
            27  C1b C    20.9877  -17.7296
            28  C1b C    22.2441  -18.4276
            29  C1b C    23.4307  -17.7296
            30  C1b C    24.6173  -18.4276
            31  C1b C    25.8038  -17.7296
            32  C1b C    27.0602  -18.4276
            33  C1b C    28.2468  -17.7296
            34  O6a O    27.0592  -14.0303
BOND        33
            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   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   18  19 1
            18   19  20 1
            19   20  21 1
            20   21  22 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   29  30 1
            29   30  31 1
            30   31  32 1
            31   32  33 1
            32   17  33 1
            33   16  34 2

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