KEGG COMPOUND: C14827

COMPOUND: C14827

Entry

C14827 Compound

Name

9(S)-HPODE;
9(S)-HPOD;
(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid;
(9S,10E,12Z)-9-Hydroperoxy-10,12-octadecadienoate

Formula

C18H32O4

Exact mass

312.2301

Mol weight

312.4443

Structure

Reaction

R07057 R09699

Pathway

map00591

Linoleic acid metabolism

map01100

Metabolic pathways

Enzyme

1.13.11.58 4.2.1.121

Brite

Lipids [BR:br08002]
FA  Fatty acyls
  FA02 Octadecanoids
   FA0200 Other Octadecanoids
    C14827  (10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid

Other DBs

CAS:	29774-12-7

PubChem:

ChEBI:

ChEMBL:

LIPIDMAPS:

LipidBank:

NIKKAJI:

KCF data

ATOM        22
            1   C1b C    24.9200  -22.8200
            2   C1b C    26.1100  -22.1200
            3   C1b C    23.7300  -22.1200
            4   C1c C    27.3700  -22.8200
            5   C1b C    22.4700  -22.8200
            6   C1b C    21.2800  -22.1200
            7   C1b C    20.0900  -22.8200
            8   C1b C    18.8300  -22.1200
            9   C6a C    17.6400  -22.8200
            10  O6a O    16.4500  -22.1200
            11  O6a O    17.6400  -24.2200
            12  C2b C    28.6300  -22.1900
            13  C2b C    29.8200  -22.8900
            14  O2a O    27.3700  -24.2200
            15  C2b C    31.0800  -22.2600
            16  C2b C    32.4800  -22.2600
            17  C1b C    33.6700  -22.9600
            18  C1b C    34.8881  -22.2699
            19  C1b C    36.0695  -22.9650
            20  C1b C    37.2749  -22.2820
            21  C1a C    38.4461  -22.9709
            22  O1a O    26.1576  -24.9200
BOND        21
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    9  11 2
            11    4  12 1
            12   12  13 2
            13    4  14 1 #Up
            14   13  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   14  22 1

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