KEGG   COMPOUND: C02094
Entry
C02094                      Compound                               
Name
beta-Carotene;
all-trans-beta-Carotene
Formula
C40H56
Exact mass
536.4382
Mol weight
536.8726
Structure
Remark
Same as: D03101
Reaction
R00032 R03823 R03824 R05345 R07558 R07560 R07857 R08988
R09747 R10282 R10559 R12179
Pathway
map00830  Retinol metabolism
map00906  Carotenoid biosynthesis
map01060  Biosynthesis of plant secondary metabolites
map01062  Biosynthesis of terpenoids and steroids
map01070  Biosynthesis of plant hormones
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01240  Biosynthesis of cofactors
map04977  Vitamin digestion and absorption
Module
M00097  beta-Carotene biosynthesis, GGAP => beta-carotene
M00372  Abscisic acid biosynthesis, beta-carotene => abscisic acid
Enzyme
1.3.99.39       1.13.11.63      1.13.11.71      1.14.13.-       
1.14.15.24      1.14.99.63      1.14.-.-        5.2.1.14        
5.5.1.19
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0107 C40 isoprenoids (tetraterpenes)
    C02094  beta-Carotene
Phytochemical compounds [BR:br08003]
 Terpenoids
  Carotenoids and apocarotenoids
   Carotenoids
    C02094  beta-Carotene
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: 5178
ChEBI: 17579
LIPIDMAPS: LMPR01070001
KNApSAcK: C00000919
PDB-CCD: BCR[PDBj]
3DMET: B00389
NIKKAJI: J3.095C
LinkDB
KCF data

ATOM        40
            1   C2y C     6.9199  -15.1533
            2   C1z C     6.9199  -16.5613
            3   C2y C     5.6996  -14.4493
            4   C2b C     8.1323  -14.4493
            5   C1x C     5.6996  -17.2808
            6   C1a C     6.9199  -17.9613
            7   C1a C     8.1167  -15.8572
            8   C1x C     4.4874  -15.1533
            9   C1a C     5.6919  -13.0570
            10  C2b C     9.3445  -15.1454
            11  C1x C     4.4874  -16.5613
            12  C2c C    10.5492  -14.4415
            13  C2b C    11.7616  -15.1377
            14  C1a C    10.5492  -13.0493
            15  C2b C    12.9661  -14.4336
            16  C2b C    14.1785  -15.1298
            17  C2c C    15.3909  -14.4336
            18  C2b C    16.5954  -15.1220
            19  C1a C    15.3830  -13.0336
            20  C2b C    17.8078  -14.4259
            21  C2b C    19.0202  -15.1220
            22  C2b C    20.2246  -14.4180
            23  C2c C    21.4370  -15.1141
            24  C2b C    22.6415  -14.4102
            25  C1a C    21.4448  -16.5064
            26  C2b C    23.8539  -15.1064
            27  C2b C    25.0663  -14.4023
            28  C2c C    26.2787  -15.0985
            29  C2b C    27.4832  -14.3946
            30  C1a C    26.2787  -16.4987
            31  C2b C    28.6956  -15.0907
            32  C2y C    29.9001  -14.3867
            33  C1z C    29.9001  -12.9710
            34  C2y C    31.1125  -15.0985
            35  C1x C    31.1125  -12.2749
            36  C1a C    29.9001  -11.5710
            37  C1a C    28.6877  -13.6592
            38  C1x C    32.3326  -14.3867
            39  C1a C    31.1048  -16.4907
            40  C1x C    32.3326  -12.9710
BOND        41
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    5  11 1
            11   10  12 1
            12   12  13 2
            13   12  14 1
            14   13  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 2
            18   17  19 1
            19   18  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   23  25 1
            25   24  26 2
            26   26  27 1
            27   27  28 2
            28   28  29 1
            29   28  30 1
            30   29  31 2
            31   31  32 1
            32   32  33 1
            33   32  34 2
            34   33  35 1
            35   33  36 1
            36   33  37 1
            37   34  38 1
            38   34  39 1
            39   35  40 1
            40    8  11 1
            41   38  40 1

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