KEGG   COMPOUND: C14833Help
Entry
C14833                      Compound                               
Name
9,12,13-TriHOME;
9(S),12(S),13(S)-Trihydroxy-10(E)-octadecenoic acid;
(10E)-(9S,12S,13S)-9,12,13-Trihydroxyoctadec-10-enoic acid
Formula
C18H34O5
Exact mass
330.2406
Mol weight
330.4596
Structure
Mol fileKCF fileDB searchJmolKegDraw
Pathway
Linoleic acid metabolism
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA02 Octadecanoids
   FA0200 Other Octadecanoids
    C14833  (10E)-(9S,12S,13S)-9,12,13-Trihydroxyoctadec-10-enoic acid
BRITE hierarchy
Other DBs
PubChem: 
LIPIDMAPS: 
LipidBank: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   C2b C    28.6308  -22.7363
            2   C2b C    29.8538  -22.1248
            3   C1c C    31.1447  -22.6683
            4   C1c C    32.5715  -22.6683
            5   C1b C    33.7266  -22.0568
            6   C1b C    34.8816  -22.6683
            7   C1b C    36.1046  -21.9889
            8   C1b C    37.2596  -22.6004
            9   C1a C    38.4146  -21.9889
            10  C1c C    27.2720  -22.7363
            11  C1b C    23.8068  -22.0568
            12  C1b C    22.6518  -22.7363
            13  C1b C    21.4288  -22.0568
            14  C1b C    20.2738  -22.7363
            15  C1b C    19.1188  -22.0568
            16  C6a C    17.9637  -22.7363
            17  O6a O    16.7408  -22.0568
            18  O6a O    17.9637  -24.2310
            19  C1b C    24.9619  -22.7363
            20  C1b C    26.1169  -22.0568
            21  O1a O    26.9150  -24.4550
            22  O1a O    32.9105  -24.3828
            23  O1a O    30.8655  -24.4008
BOND        22
            1     1   2 2
            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     1  10 1
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   16  17 1
            16   16  18 2
            17   11  19 1
            18   19  20 1
            19   20  10 1
            20   10  21 1 #Up
            21    4  22 1 #Down
            22    3  23 1 #Up

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