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(5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoate

PropertiesImage
MNX_IDMNXM739666 Image of MNXM739666
referencechebi:57449
formulaC20H31O4
global charge-1
mol weight335.464
InChIKeySGTUOBURCVMACZ-CIQDQOFUSA-M
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/p-1/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1
SMILESCCCCC/C=C\C[C@@H]1O[C@@H]1/C=C/C(O)C/C=C\CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1 Image of MNXM739666
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:10]\[CH2:13][C@H:18]1[C@@H:19](/[CH:16]=[CH:15]/[CH:17]([CH2:12]/[CH:9]=[CH:7]\[CH2:8][CH2:11][CH2:14][C:20](=[O:22])[OH:23])[OH:21])[O:24]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 14
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57449
chebi:57449
SGTUOBURCVMACZ-CIQDQOFUSA-M 		(5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoate
(5Z,9E)-8-hydroxy-10-{(2R,3S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,9-dienoate

metacyc.compound:CPD-2044
metacycM:CPD-2044
SGTUOBURCVMACZ-CIQDQOFUSA-M 		(5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoate

vmhM:C04849
vmhmetabolite:C04849
SGTUOBURCVMACZ-CIQDQOFUSA-M 		(5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoate
(5Z,9E)-8-hydroxy-10-[(2S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl]deca-5,9-dienoic acid

CHEBI:15631
chebi:15631
SGTUOBURCVMACZ-CIQDQOFUSA-N 		(5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoic acid
(5Z,9E)-8-hydroxy-10-{(2R,3S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,9-dienoic acid
(5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoic acid
(5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyeicosa-5,9,14-trienoic acid

lipidmaps:LMFA03080012
lipidmapsM:LMFA03080012
SGTUOBURCVMACZ-CIQDQOFUSA-N 		11,12-epoxy-8-hydroxyeicosa-5,9,14-trienoic acid
(5Z,9E,14Z)-(11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoate
(5Z,9E,14Z)-(11R,12S)-11,12-epoxy-8-hydroxyeicosa-5,9,14-trienoic acid
11R,12S-epoxy-8-hydroxy-5Z,9E,14Z-eicosatrienoic acid
FA 20:4
O2
hmdb:HMDB0004688
SGTUOBURCVMACZ-CIQDQOFUSA-N 		Hepoxilin A3
(5Z,9E)-8-Hydroxy-10-{(2S,3S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,9-dienoate
(5Z,9E)-8-Hydroxy-10-{(2S,3S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,9-dienoic acid
(5Z,9E)-8-hydroxy-10-[(2R,3S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl]deca-5,9-dienoic acid
(5Z,9E,14Z)-(11S,12S)-11,12-Epoxy-8-hydroxyeicosa-5,9,14-trienoate
(5Z,9E,14Z)-(11S,12S)-11,12-Epoxy-8-hydroxyeicosa-5,9,14-trienoic acid
(5Z,9E,14Z)-(11S,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoate
(5Z,9E,14Z)-(11S,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoic acid
(5Z,9E,14Z)-(8XI,11R,12S)-11,12-epoxy-8-hydroxyeicosa-5,9,14-trienoate
(5Z,9E,14Z)-(8XI,11R,12S)-11,12-epoxy-8-hydroxyeicosa-5,9,14-trienoic acid
(5Z,9E,14Z)-(8XI,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoate
11,12-Epoxy-8-hydroxyeicosa-5,9,14-trienoate
8-EH-2
8-Hydroxy-11,12-epoxyeicosa-5,9,14-trienoate
8-Hydroxy-11,12-epoxyeicosa-5,9,14-trienoic acid
8-Hydroxy-11S,12S-epoxy-5Z,14Z,9E-eicosatrienoate
8-Hydroxy-11S,12S-epoxy-5Z,14Z,9E-eicosatrienoic acid
HXA3 CPD
HXA3 cpd
Hepoxilin a
Hepoxilin a3
Hexophilin a3

seed.compound:cpd02946
seedM:cpd02946
SGTUOBURCVMACZ-CIQDQOFUSA-M 		Hepoxilin A3
(5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14- trienoate
(5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoate
(5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoic acid
(5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoate
hepoxilin A3

hmdb:HMDB04688
chebi:10923
chebi:18597
chebi:252
seedM:M_cpd02946
vmhM:M_C04849 		secondary/obsolete/fantasy identifier