ChEBI
  Marvin  07100614422D          

 24 23  0  0  1  0            999 V2000
    3.7428  -11.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4573  -10.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4573  -10.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8862  -10.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6007   -9.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4257   -9.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1401  -10.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8546   -9.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5691  -10.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2836   -8.9251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2836   -9.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9980  -10.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1717   -9.7501    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1717   -8.9251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8862   -8.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7428  -12.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4573  -12.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1717  -12.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967  -12.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7112  -12.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4257  -12.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1401  -12.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8546  -12.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5691  -12.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 16  1  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3 13  1  0  0  0  0
 13  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 10  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <ID>
CHEBI:15629

> <NAME>
8(R)-HPETE

> <DEFINITION>
The (R)-enantiomer of 8-HPETE.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:10921; CHEBI:18596; CHEBI:251

> <SYNONYM>
8R-HpETE; 8(R)-HPETE; (5Z,9E,11Z,14Z)-(8R)-8-Hydroxyperoxyicosa-5,9,11,14-tetraenoate; (5Z,9E,11Z,14Z)-(8R)-8-Hydroxyperoxyeicosa-5,9,11,14-tetraenoate; (5Z,9E,11Z,14Z)-(8R)-8-Hydroperoxyicosa-5,9,11,14-tetraenoate; (5Z,9E,11Z,14Z)-(8R)-8-Hydroperoxyeicosa-5,9,11,14-tetraenoate

> <IUPAC_NAME>
(5Z,8R,9E,11Z,14Z)-8-hydroperoxyicosa-5,9,11,14-tetraenoic acid

> <FORMULA>
C20H32O4

> <MASS>
336.46568

> <MONOISOTOPIC_MASS>
336.23006

> <CHARGE>
0

> <SMILES>
CCCCC\C=C/C\C=C/C=C/[C@@H](C\C=C/CCCC(O)=O)OO

> <INCHI>
InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,14-11-,16-13+/t19-/m0/s1

> <INCHIKEY>
QQUFCXFFOZDXLA-GTYUHVKWSA-N

> <KEGG_COMPOUND_ACCESSION>
C04822

> <KNAPSACK_ACCESSION>
C00000422

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA03060037

$$$$