KEGG   DRUG: beta Carotene
Entry
D03101                      Drug                                   
Name
beta Carotene (USP);
Betacarotene (INN);
Solatene (TN)
Formula
C40H56
Exact mass
536.4382
Mol weight
536.87
Structure
Simcomp
Remark
Same as: C02094
ATC code: A11CA02 D02BB01
Efficacy
Ultraviolet screen
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A11 VITAMINS
   A11C VITAMIN A AND D, INCL. COMBINATIONS OF THE TWO
    A11CA Vitamin A, plain
     A11CA02 Betacarotene
      D03101  beta Carotene (USP)
 D DERMATOLOGICALS
  D02 EMOLLIENTS AND PROTECTIVES
   D02B PROTECTIVES AGAINST UV-RADIATION
    D02BB Protectives against UV-radiation for systemic use
     D02BB01 Betacarotene
      D03101  beta Carotene (USP)
Other DBs
CAS: 7235-40-7
PubChem: 17397256
ChEBI: 17579
PDB-CCD: BCR[PDBj]
LigandBox: D03101
NIKKAJI: J3.095C
LinkDB
KCF data

ATOM        40
            1   C1x C     7.2100  -18.3400
            2   C1x C     7.2100  -19.7400
            3   C1x C     8.4224  -20.4400
            4   C2y C     9.6349  -19.7400
            5   C2y C     9.6349  -18.3400
            6   C1z C     8.4224  -17.6400
            7   C2b C    10.8660  -17.6290
            8   C2b C    12.0712  -18.3247
            9   C2c C    13.2535  -17.6419
            10  C2b C    14.4475  -18.3312
            11  C2b C    15.6354  -17.6452
            12  C2b C    16.8265  -18.3329
            13  C2c C    18.0159  -17.6461
            14  C2b C    19.2062  -18.3334
            15  C2b C    20.3961  -17.6463
            16  C2b C    21.5862  -18.3335
            17  C2b C    22.7761  -17.6464
            18  C2c C    23.9662  -18.3335
            19  C2b C    25.1561  -17.6464
            20  C2b C    26.3462  -18.3335
            21  C2b C    27.5361  -17.6464
            22  C2c C    28.7262  -18.3335
            23  C2b C    29.9161  -17.6464
            24  C2b C    31.1062  -18.3335
            25  C2y C    32.2961  -17.6464
            26  C1z C    33.4862  -18.3335
            27  C1x C    34.6986  -17.6335
            28  C1x C    34.6987  -16.2335
            29  C1x C    33.5086  -15.5464
            30  C2y C    32.2961  -16.2464
            31  C1a C    13.2535  -16.2402
            32  C1a C     9.1224  -16.4276
            33  C1a C     7.4325  -16.6501
            34  C1a C    10.8660  -20.4510
            35  C1a C    18.0160  -16.2402
            36  C1a C    23.9663  -19.7398
            37  C1a C    28.7263  -19.7398
            38  C1a C    31.0614  -15.5333
            39  C1a C    32.7862  -19.5459
            40  C1a C    34.1862  -19.5459
BOND        41
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   29  30 1
            31   25  30 2
            32    9  31 1
            33    6  32 1
            34    6  33 1
            35    4  34 1
            36   13  35 1
            37   18  36 1
            38   22  37 1
            39   30  38 1
            40   26  39 1
            41   26  40 1

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