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20-COOH-10,11-dihydro-LTB4

PropertiesImage
MNX_IDMNXM35482 Image of MNXM35482
referencechebi:175747
formulaC20H32O6
global charge0
mol weight368.47
InChIKeyBCZGHMCTSJAJRR-NSBXBVANSA-N
InChIInChI=1S/C20H32O6/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/h2,4-6,8,13,17-18,21-22H,1,3,7,9-12,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,13-8-/t17-,18-/m0/s1
SMILESO=C(O)CCCC/C=C\C[C@H](O)CC/C=C/C=C\[C@H](O)CCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C20H32O6/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/h2,4-6,8,13,17-18,21-22H,1,3,7,9-12,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,13-8-/t17-,18-/m0/s1 Image of MNXM35482
SMILES (mnx)[CH2:1](/[CH:2]=[CH:6]\[CH2:11][C@@H: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])[OH: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)3
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:175747
chebi:175747
BCZGHMCTSJAJRR-NSBXBVANSA-N 		20-COOH-10,11-dihydro-LTB4
(5R,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienedioic acid

bigg.metabolite:CE5947
biggM:CE5947
vmhM:CE5947
vmhmetabolite:CE5947
BCZGHMCTSJAJRR-NSBXBVANSA-L 		20-COOH-10,11-dihydro-LTB4
hmdb:HMDB0012633
BCZGHMCTSJAJRR-NSBXBVANSA-N 		20-COOH-10,11-dihydro-LTB4
(5R,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienedioic acid
(5S,12R)-Dihydroxy-(6Z,8E,14Z)-eicosatrien-1,20-dicarboxylic acid anion
10,11-dihydro-20-COOH-Leukotriene b(,4)
20-Carboxy-10,11-dihydro-LTB(,4)

lipidmaps:LMFA03020059
lipidmapsM:LMFA03020059
BCZGHMCTSJAJRR-NSBXBVANSA-N 		20-COOH-10,11-dihydro-LTB4
(5R,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienedioic acid
FA 20:4
O4

hmdb:HMDB12633
biggM:M_CE5947
vmhM:M_CE5947 		secondary/obsolete/fantasy identifier