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10,11-dihydro-12-epi-leukotriene B4

PropertiesImage
MNX_IDMNXM1560359 Image of MNXM1560359
referencevmhM:CE4988
vmhM:CE4988
formulaC20H33O4
global charge-1
mol weight337.48
InChIKeyNKUPFHTVILUPKF-XKVMTLFDSA-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-
SMILESCCCCC/C=C\CC(O)CC/C=C/C=C\C(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? Image of MNXM1560359
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:9]\[CH2:13][CH:18]([CH2:14][CH2:10]/[CH:7]=[CH:8]/[CH:11]=[CH:15]\[CH: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) 0
Similar chemical compounds in external resources
IdentifierDescription

vmhM:CE4988
vmhM:CE4988
vmhmetabolite:CE4988
vmhmetabolite:CE4988
NKUPFHTVILUPKF-XKVMTLFDSA-M
10,11-dihydro-12-epi-leukotriene B4

vmhM:M_CE4988
secondary/obsolete/fantasy identifier