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10,11-dihydro-leukotriene B4

PropertiesImage
MNX_IDMNXM734227 Image of MNXM734227
referencebiggM:CE4987
formulaC20H33O4
global charge-1
mol weight337.48
InChIKeyNKUPFHTVILUPKF-RNEQFKNCSA-M
InChIInChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,18-19,21-22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/p-1/b8-7+,9-6-,15-11-/t18-,19-/m0/s1
SMILESCCCCC/C=C\C[C@H](O)CC/C=C/C=C\[C@H](O)CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,18-19,21-22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,15-11-/t18-,19-/m0/s1 Image of MNXM734227
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:9]\[CH2:13][C@@H:18]([CH2:14][CH2:10]/[CH:7]=[CH:8]/[CH:11]=[CH:15]\[C@@H:19]([CH2:16][CH2:12][CH2:17][C:20](=[O:23])[OH:24])[OH:22])[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE4987
biggM:CE4987
vmhM:CE4987
vmhmetabolite:CE4987
NKUPFHTVILUPKF-RNEQFKNCSA-M 		10,11-dihydro-leukotriene B4
hmdb:HMDB0012504
NKUPFHTVILUPKF-RNEQFKNCSA-N 		10,11-dihydro-leukotriene B4
(5R,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid
(5S,12R)-Dihydroxy-(6Z,8E,14Z)-eicosa-6,8,14-trienoate
(5S,12R)-Dihydroxy-(6Z,8E,14Z)-eicosa-6,8,14-trienoic acid
(5S,12R)-Dihydroxy-(6Z,8E,14Z)-eicosatrienoate
(5S,12R)-Dihydroxy-(6Z,8E,14Z)-eicosatrienoic acid
10,11-dihydro-LTB(,4)
DHLTB4

lipidmaps:LMFA03020045
lipidmapsM:LMFA03020045
NKUPFHTVILUPKF-RNEQFKNCSA-N 		10,11-dihydro-leukotriene B4
(5R,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid
FA 20:3
O2

hmdb:HMDB12504
biggM:M_CE4987
vmhM:M_CE4987 		secondary/obsolete/fantasy identifier