KEGG COMPOUND: C02094

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
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
  C02094
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:

ChEBI:

LIPIDMAPS:

KNApSAcK:

PDB-CCD:

BCR[PDBj]

3DMET:

B00389

NIKKAJI:

J3.095C

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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