KEGG   COMPOUND: C03640
Entry
C03640                      Compound                               
Name
Sphingosyl-phosphocholine;
Sphingosine-1-phosphocholine
Formula
C23H50N2O5P
Exact mass
465.3457
Mol weight
465.6273
Structure
Reaction
Pathway
map00600  Sphingolipid metabolism
Enzyme
2.3.1.24        2.7.8.10
Brite
Lipids [BR:br08002]
 SP  Sphingolipids
  SP01 Sphingoid bases
   SP0106 Lysosphingomyelins and lysoglycosphingolipids
    C03640  Sphingosyl-phosphocholine
Other DBs
PubChem: 6422
ChEBI: 52897
LIPIDMAPS: LMSP01060001
PDB-CCD: SPU[PDBj]
3DMET: B01677
NIKKAJI: J619.421D
LinkDB
KCF data

ATOM        31
            1   C1b C    25.8248  -23.2934
            2   C1c C    24.6159  -23.9817
            3   O2b O    27.0523  -23.9817
            4   C1c C    23.3945  -23.2934
            5   N1a N    25.1234  -25.1826
            6   P1b P    28.4474  -23.9817
            7   C2b C    22.1729  -23.9817
            8   O1a O    23.3945  -21.8798
            9   O2b O    29.8548  -23.9817
            10  O1c O    28.4474  -22.5866
            11  O1c O    28.4535  -25.3952
            12  C2b C    20.9640  -23.2934
            13  C1b C    30.5553  -22.7664
            14  C1b C    19.7365  -23.9817
            15  C1b C    31.9628  -22.7664
            16  C1b C    18.5275  -23.2934
            17  N1d N    32.6633  -21.5511 #+
            18  C1b C    17.3060  -23.9817
            19  C1a C    34.0707  -21.5511
            20  C1a C    31.9628  -20.3298
            21  C1a C    33.7254  -22.8233
            22  C1b C    16.0909  -23.2934
            23  C1b C    14.8757  -23.9817
            24  C1b C    14.8820  -25.3952
            25  C1b C    16.1033  -26.0957
            26  C1b C    17.3123  -25.3828
            27  C1b C    18.5646  -26.0276
            28  C1b C    19.7426  -25.2651
            29  C1b C    20.9951  -25.9159
            30  C1b C    22.1729  -25.1595
            31  C1a C    23.4254  -25.7920
BOND        30
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1 #Down
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Up
            8     6   9 1
            9     6  10 1
            10    6  11 2
            11    7  12 2
            12    9  13 1
            13   12  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   17  20 1
            20   17  21 1
            21   18  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1

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