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12-oxo-10,11-dihydro-20-COOH-LTB4

PropertiesImage
MNX_IDMNXM33275 Image of MNXM33275
referencechebi:175705
formulaC20H30O6
global charge0
mol weight366.454
InChIKeyRYMSXFPLTLWXCK-VJNSNPJLSA-N
InChIInChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-6,8,13,18,22H,1,3,7,9-12,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,13-8-/t18-/m0/s1
SMILESO=C(O)CCCC/C=C\CC(=O)CC/C=C/C=C\[C@H](O)CCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-6,8,13,18,22H,1,3,7,9-12,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,13-8-/t18-/m0/s1 Image of MNXM33275
SMILES (mnx)[CH2:1](/[CH:2]=[CH:6]\[CH2:11][C:17]([CH2:12][CH2:7]/[CH:4]=[CH:5]/[CH:8]=[CH:13]\[C@@H:18]([CH2:14][CH2:10][CH2:16][C:20](=[O:25])[OH:26])[OH:22])=[O:21])[CH2:3][CH2:9][CH2:15][C:19](=[O:23])[OH:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:175705
chebi:175705
RYMSXFPLTLWXCK-VJNSNPJLSA-N 		12-oxo-10,11-dihydro-20-COOH-LTB4
(5R,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienedioic acid

bigg.metabolite:CE5976
biggM:CE5976
vmhM:CE5976
vmhmetabolite:CE5976
RYMSXFPLTLWXCK-VJNSNPJLSA-L 		12-oxo-10,11-dihydro-20-COOH-LTB4
hmdb:HMDB0012549
RYMSXFPLTLWXCK-VJNSNPJLSA-N 		12-oxo-10,11-dihydro-20-COOH-LTB4
(5R,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienedioic acid
(5S)-Hydroxy-12-oxo-(6Z,8E,14Z)-eicosatrienedioate
(5S)-Hydroxy-12-oxo-(6Z,8E,14Z)-eicosatrienedioic acid
12-oxo-10,11-dihydro-20-Carboxy-LTB(,4)

lipidmaps:LMFA03020046
lipidmapsM:LMFA03020046
RYMSXFPLTLWXCK-VJNSNPJLSA-N 		12-oxo-10,11-dihydro-20-COOH-LTB4
(5R,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienedioic acid
FA 20:5
O4

hmdb:HMDB12549
biggM:M_CE5976
vmhM:M_CE5976 		secondary/obsolete/fantasy identifier