KEGG   COMPOUND: C23027
Entry
C23027                      Compound                               
Name
Ultra-long-chain omega-hydroxy fatty acyl-CoA;
omega-OH ULCFA-CoA;
omega-OH ULC acyl-CoA
Formula
C35H62N7O18P3S(C2H4)n
Structure
Pathway
map04382  Cornified envelope formation
Network
nt06545  Cornified envelope formation
Other DBs
PubChem: 513131678
LinkDB
KCF data

ATOM        66
            1   C1b C    26.6224  -16.0300
            2   C5a C    27.8349  -15.3300
            3   S2a S    29.0473  -16.0300
            4   C1b C    30.2597  -15.3300
            5   C1b C    31.4722  -16.0300
            6   N1b N    32.6846  -15.3300
            7   C5a C    33.8970  -16.0300
            8   C1b C    35.1095  -15.3300
            9   C1b C    36.3219  -16.0300
            10  N1b N    37.5344  -15.3300
            11  C5a C    38.7468  -16.0300
            12  C1c C    39.9592  -15.3300
            13  C1d C    41.1717  -16.0300
            14  C1b C    42.3841  -15.3300
            15  O2b O    43.5965  -16.0300
            16  O5a O    27.8349  -13.9302
            17  O5a O    33.8970  -17.4299
            18  O5a O    38.7468  -17.4296
            19  O1a O    39.9592  -13.9300
            20  C1a C    41.1717  -14.6300
            21  C1a C    41.1717  -17.4300
            22  P1b P    44.9965  -16.0300
            23  O1c O    46.3965  -16.0300
            24  O1c O    44.9965  -17.4300
            25  C1y C    38.5000  -11.0600
            26  C1y C    39.9000  -11.0600
            27  C1y C    40.3326   -9.7285
            28  O2x O    39.2000   -8.9056
            29  C1y C    38.0674   -9.7285
            30  C1b C    41.6522   -9.2997
            31  O1a O    37.6771  -12.1926
            32  O2b O    40.7229  -12.1926
            33  P1b P    42.1229  -12.1926
            34  O1c O    42.1229  -10.7926
            35  O1c O    43.5229  -12.1926
            36  O1c O    42.1229  -13.5926
            37  C8y C    33.9500   -7.9100
            38  C8y C    33.9500   -9.3100
            39  N4y N    36.3749   -9.3100
            40  C8x C    36.3749   -7.9100
            41  N5x N    35.1624   -7.2100
            42  C8y C    32.7376   -7.2100
            43  N5x N    31.5251   -7.9100
            44  C8x C    31.5251   -9.3100
            45  N5x N    32.7376  -10.0100
            46  N1a N    32.7376   -5.8102
            47  O2b O    43.6345   -9.7320
            48  P1b P    45.0345   -9.7320
            49  O1c O    45.0345   -8.3320
            50  O1c O    46.4345   -9.7320
            51  O2c O    45.0345  -12.9520
            52  C1b C    25.3876  -15.3300
            53  C1b C    24.1751  -16.0300
            54  C1b C    22.9627  -15.3300
            55  C1b C    21.7503  -16.0300
            56  C1b C    20.5378  -15.3300
            57  C1b C    19.3254  -16.0300
            58  C1b C    18.1130  -15.3300
            59  C1b C    16.9005  -16.0300
            60  C1b C    15.6881  -15.3300
            61  C1b C    14.4756  -16.0300
            62  C1b C    13.2632  -15.3300
            63  C1b C    12.0508  -16.0300
            64  C1b C    10.8383  -15.3300
            65  C1b C     9.6259  -16.0300
            66  O1a O     8.4393  -15.3445
BOND        68
            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    2  16 2
            16    7  17 2
            17   11  18 2
            18   12  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   15  22 1
            22   22  23 2
            23   22  24 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   25  29 1
            29   27  30 1 #Down
            30   25  31 1 #Up
            31   26  32 1 #Up
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 2
            36   37  38 2
            37   38  39 1
            38   39  40 1
            39   40  41 2
            40   37  41 1
            41   37  42 1
            42   42  43 2
            43   43  44 1
            44   44  45 2
            45   38  45 1
            46   42  46 1
            47   29  39 1 #Down
            48   30  47 1
            49   47  48 1
            50   48  49 1
            51   48  50 2
            52   48  51 1
            53   22  51 1
            54    1  52 1
            55   52  53 1
            56   53  54 1
            57   54  55 1
            58   55  56 1
            59   56  57 1
            60   57  58 1
            61   58  59 1
            62   59  60 1
            63   60  61 1
            64   61  62 1
            65   62  63 1
            66   63  64 1
            67   64  65 1
            68   65  66 1
BRACKET     1    23.5900  -16.9400   23.5900  -14.7700
            1    25.8300  -14.7700   25.8300  -16.9400
            1  n
 ORIGINAL  1   52  53
 REPEAT    1

» Japanese version

KEGG   COMPOUND: C00836
Entry
C00836                      Compound                               
Name
Sphinganine;
Dihydrosphingosine;
2-Amino-1,3-dihydroxyoctadecane
Formula
C18H39NO2
Exact mass
301.2981
Mol weight
301.51
Structure
Reaction
R02976 R02978 R02979 R06517 R06518 R06520 R06525
Pathway
map00600  Sphingolipid metabolism
map01100  Metabolic pathways
map04071  Sphingolipid signaling pathway
map04382  Cornified envelope formation
Module
M00094  Ceramide biosynthesis
M00099  Sphingosine biosynthesis
Network
nt06545  Cornified envelope formation
Enzyme
1.1.1.102       1.3.99.-        1.14.18.5       2.3.1.24        
2.3.1.291       2.3.1.297       2.3.1.298       2.3.1.299       
2.7.1.91        3.1.3.4         3.1.3.-         3.5.1.23
Brite
Lipids [BR:br08002]
 SP  Sphingolipids
  SP01 Sphingoid bases
   SP0102 Sphinganines
    C00836  Sphinganine
Other DBs
CAS: 764-22-7
PubChem: 4094
ChEBI: 16566
LIPIDMAPS: LMSP01020001
KNApSAcK: C00007540
NIKKAJI: J14.383I
LinkDB
KCF data

ATOM        21
            1   C1c C    21.3803  -10.1016
            2   C1c C    22.6085  -10.7832
            3   N1a N    21.3680   -8.7014
            4   C1b C    20.1765  -10.8140
            5   C1b C    23.8183  -10.0771
            6   O1a O    22.6207  -12.1896
            7   O1a O    18.9605  -10.1262
            8   C1b C    25.0343  -10.7586
            9   C1b C    26.2441  -10.0525
            10  C1b C    27.4662  -10.7342
            11  C1b C    28.6761  -10.0279
            12  C1b C    29.8921  -10.7097
            13  C1b C    31.1080  -10.0033
            14  C1b C    32.3240  -10.6851
            15  C1b C    33.5338   -9.9727
            16  C1b C    34.7559  -10.6605
            17  C1b C    35.9658   -9.9481
            18  C1b C    37.1879  -10.6359
            19  C1b C    38.3916   -9.9235
            20  C1b C    39.6198  -10.6113
            21  C1a C    40.8236   -9.8990
BOND        20
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     4   7 1
            7     5   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   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1

» Japanese version

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