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Omega-Carboxy-trinor-leukotriene B4

PropertiesImage
MNX_IDMNXM65538 Image of MNXM65538
referencechebi:172560
formulaC18H26O6
global charge0
mol weight338.4
InChIKeyXWRIIHRGMKHPHN-LLVPEOCGSA-N
InChIInChI=1S/C18H26O6/c19-15(11-6-3-7-13-17(21)22)9-4-1-2-5-10-16(20)12-8-14-18(23)24/h1-6,9-10,15-16,19-20H,7-8,11-14H2,(H,21,22)(H,23,24)/b2-1+,6-3-,9-4+,10-5-/t15-,16+/m1/s1
SMILESO=C(O)CC/C=C\C[C@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C18H26O6/c19-15(11-6-3-7-13-17(21)22)9-4-1-2-5-10-16(20)12-8-14-18(23)24/h1-6,9-10,15-16,19-20H,7-8,11-14H2,(H,21,22)(H,23,24)/b2-1+,6-3-,9-4+,10-5-/t15-,16+/m1/s1 Image of MNXM65538
SMILES (mnx)[CH:1](=[CH:2]/[CH:5]=[CH:10]\[C@@H:16]([CH2:12][CH2:8][CH2:14][C:18](=[O:23])[OH:24])[OH:20])\[CH:4]=[CH:9]\[C@H:15]([CH2:11]/[CH:6]=[CH:3]\[CH2:7][CH2:13][C:17](=[O:21])[OH:22])[OH:19]
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:172560
chebi:172560
XWRIIHRGMKHPHN-LLVPEOCGSA-N 		Omega-Carboxy-trinor-leukotriene B4
(4Z,7S,8E,10E,12Z,14R)-7,14-dihydroxyoctadeca-4,8,10,12-tetraenedioic acid
hmdb:HMDB0013032
XWRIIHRGMKHPHN-LLVPEOCGSA-N 		Omega-Carboxy-trinor-leukotriene B4
(4Z,7S,8E,10E,12Z,14R)-7,14-dihydroxyoctadeca-4,8,10,12-tetraenedioic acid
(7S,8E,10E,12Z,14R)-7,14-Dihydroxyoctadeca-4,8,10,12-tetraenedioate
7R,14S-Dihydroxy-1,18-octadec-4,12Z,8,10E-tetraendioate
7R,14S-Dihydroxy-1,18-octadec-4,12Z,8,10E-tetraendioic acid
7R,14S-Dihydroxy-1,18-octadec-4,12Z,8,10E-tetraendioic acid anion
Omega-COOH-dinor-LTB(,4)

bigg.metabolite:CE6185
biggM:CE6185
XWRIIHRGMKHPHN-LLVPEOCGSA-L 		Omega-carboxy-trinor-leukotriene B4

vmhM:CE6185
vmhmetabolite:CE6185
XWRIIHRGMKHPHN-LLVPEOCGSA-L 		omega-carboxy-trinor-leukotriene B4

hmdb:HMDB13032
biggM:M_CE6185
vmhM:M_CE6185 		secondary/obsolete/fantasy identifier