ChEBI
  Marvin  07050612522D          

 25 24  0  0  1  0            999 V2000
    0.8443   -0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8443   -1.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5587   -1.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2732   -0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9877   -0.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7022   -0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4166   -0.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1311   -0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9561   -0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3850   -0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995   -0.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8140   -0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2429   -0.7230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5285   -0.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5285    0.5145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6706   -0.3105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6706    0.5145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5587   -0.3105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5587    0.5145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2732   -1.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9877   -1.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7022   -1.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4166   -1.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1311   -1.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8456   -1.9605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 18  1  1  0  0  0  0
 18  4  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  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  2  0  0  0  0
  9 16  1  0  0  0  0
 16 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  1  0  0  0
 18 19  1  1  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
 24 25  1  0  0  0  0
M  END
> <ID>
CHEBI:15646

> <NAME>
20-hydroxy-leukotriene B4

> <DEFINITION>
The 20-hydroxy derivative of leukotriene B4.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1293; CHEBI:19796; CHEBI:10932

> <SYNONYM>
20-OH-LTB4; 20-OH-Leukotriene B4; 20-hydroxy-LTB4; 20-Hydroxy-leukotriene B4; (6Z,8E,10E,14Z)-(5S,12R)-5,12,20-Trihydroxyicosa-6,8,10,14-tetraenoate; (6Z,8E,10E,14Z)-(5S,12R)-5,12,20-Trihydroxyeicosa-6,8,10,14-tetraenoate

> <IUPAC_NAME>
(5S,6Z,8E,10E,12R,14Z)-5,12,20-trihydroxyicosa-6,8,10,14-tetraenoic acid

> <FORMULA>
C20H32O5

> <MASS>
352.46508

> <MONOISOTOPIC_MASS>
352.22497

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1

> <INCHIKEY>
PTJFJXLGRSTECQ-PSPARDEHSA-N

> <KEGG_COMPOUND_ACCESSION>
C04853

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA03020018

> <PUBMED_CITATION>
3000366; 8382231; 8609415

$$$$