KEGG   COMPOUND: C00959Help
Entry
C00959                      Compound                               

Name
Prostaglandin B1;
PGB1
Formula
C20H32O4
Exact mass
336.2301
Mol weight
336.4657
Structure
Mol fileKCF fileDB search
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Prostaglandins
    C00959  Prostaglandin B1
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0301 Prostaglandins
    C00959  Prostaglandin B1
BRITE hierarchy
Other DBs
CAS: 13345-51-2
PubChem: 4210
ChEBI: 27624
ChEMBL: CHEMBL1561148
LIPIDMAPS: LMFA03010131
LipidBank: XPR1100
3DMET: B01359
NIKKAJI: J16.061J
KCF data Show

ATOM        24
            1   C2y C    21.8107  -15.2475
            2   C2y C    21.8107  -16.6380
            3   C5x C    20.4612  -14.8561
            4   C1b C    22.9792  -14.5232
            5   C1x C    20.4903  -17.0880
            6   C2b C    23.0317  -17.3157
            7   C1x C    19.6725  -15.9779
            8   O5x O    20.0114  -13.5475
            9   C1b C    24.2060  -15.2009
            10  C2b C    24.2353  -16.6088
            11  C1b C    25.4096  -14.4588
            12  C1c C    25.4797  -17.2865
            13  C1b C    26.6481  -15.1365
            14  C1b C    26.6891  -16.5504
            15  O1a O    25.5148  -18.6594
            16  C1b C    27.8575  -14.3771
            17  C1b C    27.9567  -17.2281
            18  C1b C    29.1193  -15.0489
            19  C1b C    29.1661  -16.4335
            20  C6a C    30.2936  -14.3245
            21  C1b C    30.3871  -17.1462
            22  O6a O    31.5089  -14.9730
            23  O6a O    30.2470  -12.9399
            24  C1a C    31.5614  -16.4277
BOND        24
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     6  10 2
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14   12  15 1 #Down
            15   13  16 1
            16   14  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24    5   7 1

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