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12-Oxo-20-carboxy-leukotriene B4

PropertiesImage
MNX_IDMNXM33276 Image of MNXM33276
referencechebi:172594
formulaC20H28O6
global charge0
mol weight364.438
InChIKeyVLMCDTMNMDDMLC-NZXMSVEXSA-N
InChIInChI=1S/C20H28O6/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/h2,4-8,12-13,18,22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t18-/m0/s1
SMILESO=C(O)CCCC/C=C\CC(=O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C20H28O6/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/h2,4-8,12-13,18,22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t18-/m0/s1 Image of MNXM33276
SMILES (mnx)[CH2:1](/[CH:2]=[CH:6]\[CH2:11][C:17](/[CH:12]=[CH: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)2
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:172594
chebi:172594
VLMCDTMNMDDMLC-NZXMSVEXSA-N 		12-Oxo-20-carboxy-leukotriene B4
(5R,6Z,8E,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenedioic acid
hmdb:HMDB0012550
VLMCDTMNMDDMLC-NZXMSVEXSA-N 		12-Oxo-20-carboxy-leukotriene B4
(5R,6Z,8E,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenedioic acid
(6Z,8E,10E,14Z)-(5S,12R)-12-oxo-5-Hydroxyeicosa-6,8,10,14-tetraen-1,20-dioate
(6Z,8E,10E,14Z)-(5S,12R)-12-oxo-5-Hydroxyeicosa-6,8,10,14-tetraen-1,20-dioic acid
12-oxo-20-COOH-LTB(,4)
12-oxo-20-COOH-Leukotriene b(,4)
12-oxo-20-Carboxy-LTB(,4)

lipidmaps:LMFA03020047
lipidmapsM:LMFA03020047
VLMCDTMNMDDMLC-NZXMSVEXSA-N 		12-Oxo-20-carboxy-leukotriene B4
(5R,6Z,8E,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenedioic acid
FA 20:6
O4

bigg.metabolite:CE5525
biggM:CE5525
vmhM:CE5525
vmhmetabolite:CE5525
VLMCDTMNMDDMLC-NZXMSVEXSA-L 		12-oxo-20-carboxy-leukotriene B4

hmdb:HMDB12550
biggM:M_CE5525
vmhM:M_CE5525 		secondary/obsolete/fantasy identifier