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6,7-dihydro-5-oxo-12-epi-LTB4

PropertiesImage
MNX_IDMNXM1107223 Image of MNXM1107223
referencechebi:175293
formulaC20H32O4
global charge0
mol weight336.472
InChIKeyRUTQOBJLGHUCJC-ATHKOCGESA-N
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-10,14,18,21H,2-5,11-13,15-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+/t18-/m1/s1
SMILESCCCCC/C=C\C[C@@H](O)/C=C/C=C/CCC(=O)CCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-10,14,18,21H,2-5,11-13,15-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+/t18-/m1/s1 Image of MNXM1107223
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:9]\[CH2:13][C@H:18](/[CH:14]=[CH:10]/[CH:7]=[CH:8]/[CH2:11][CH2:15][C:19]([CH2:16][CH2:12][CH2:17][C:20](=[O:23])[OH:24])=[O:22])[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 11
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:175293
chebi:175293
RUTQOBJLGHUCJC-ATHKOCGESA-N 		6,7-dihydro-5-oxo-12-epi-LTB4
(8E,10E,12R,14Z)-12-hydroxy-5-oxoicosa-8,10,14-trienoic acid
hmdb:HMDB0012839
RUTQOBJLGHUCJC-ATHKOCGESA-N 		6,7-dihydro-5-oxo-12-epi-LTB4
(8E,10E,12R,14Z)-12-hydroxy-5-oxoicosa-8,10,14-trienoic acid
5-oxo-(12S)-Hydroxy-(8E,10E,14Z)-eicosatrienoate
5-oxo-(12S)-Hydroxy-(8E,10E,14Z)-eicosatrienoic acid
5O12SECtr
6,7-dihydro-5-oxo-12-Epi-leukotriene b(,4)

lipidmaps:LMFA03020071
lipidmapsM:LMFA03020071
RUTQOBJLGHUCJC-ATHKOCGESA-N 		6,7-dihydro-5-oxo-12-epi-LTB4
(8E,10E,12R,14Z)-12-hydroxy-5-oxoicosa-8,10,14-trienoic acid
FA 20:4
O2

bigg.metabolite:CE5343
biggM:CE5343
vmhM:CE5343
vmhmetabolite:CE5343
RUTQOBJLGHUCJC-ATHKOCGESA-M 		6,7-dihydro-5-oxo-12-epi-leukotriene B

hmdb:HMDB0012840
hmdb:HMDB12839
hmdb:HMDB12840
biggM:M_CE5343
vmhM:M_CE5343 		secondary/obsolete/fantasy identifier