ChEBI
  Marvin  07100611442D          

 24 23  0  0  1  0            999 V2000
   15.8813   -6.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2937   -6.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2937   -7.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1187   -6.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8332   -6.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5477   -6.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3727   -6.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0871   -6.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8015   -6.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5160   -6.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2305   -5.4154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2305   -6.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9448   -6.6528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1187   -7.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8332   -7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5477   -7.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0871   -7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8015   -7.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5160   -7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2305   -7.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9448   -7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3727   -7.6692    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.5861   -8.4661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3006   -8.8786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 12 11  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 22  1  0  0  0  0
 22 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  6  0  0  0
 23 24  1  0  0  0  0
M  END
> <ID>
CHEBI:15628

> <NAME>
15(S)-HPETE

> <DEFINITION>
The (S)-enantiomer of 15-HPETE.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:36041; CHEBI:19152; CHEBI:10920; CHEBI:758; CHEBI:18594; CHEBI:18595

> <SYNONYM>
15S-HpETE; 15-Hydroperoxyicosatetraenoic acid; 15-Hydroperoxyicosatetraenoate; 15-Hydroperoxyeicosatetraenoic acid; 15-Hydroperoxyeicosatetraenoate; 15(S)-HPETE; (5Z,8Z,11Z,13E)-(15S)-15-Hydroperoxyicosa-5,8,11,13-tetraenoic acid; (5Z,8Z,11Z,13E)-(15S)-15-Hydroperoxyicosa-5,8,11,13-tetraenoate

> <IUPAC_NAME>
(5Z,8Z,11Z,13E,15S)-15-hydroperoxyicosa-5,8,11,13-tetraenoic acid

> <FORMULA>
C20H32O4

> <MASS>
336.46568

> <MONOISOTOPIC_MASS>
336.23006

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1

> <INCHIKEY>
BFWYTORDSFIVKP-VAEKSGALSA-N

> <KEGG_COMPOUND_ACCESSION>
C05966

> <KNAPSACK_ACCESSION>
C00000400

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA03060014

$$$$