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(12S)-hydroperoxy-(5Z,8Z,10E,14Z,17Z)-eicosapentaenoate

PropertiesImage
MNX_IDMNXM33226 Image of MNXM33226
referencechebi:90772
formulaC20H29O4
global charge-1
mol weight333.448
InChIKeyHDMYXONNVAOHFR-UOLHMMFFSA-M
InChIInChI=1S/C20H30O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h3-4,7-11,13-14,17,19,23H,2,5-6,12,15-16,18H2,1H3,(H,21,22)/p-1/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
SMILESCC/C=C\C/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)[O-])OO
MNX internals
InChI (mnx)InChI=1/C20H30O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h3-4,7-11,13-14,17,19,23H,2,5-6,12,15-16,18H2,1H3,(H,21,22)/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m0/s1 Image of MNXM33226
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5]/[CH:10]=[CH:13]\[CH2:16][C@@H:19](/[CH:17]=[CH:14]/[CH:11]=[CH:8]\[CH2:6]/[CH:7]=[CH:9]\[CH2:12][CH2:15][CH2:18][C:20](=[O:21])[OH:22])[O:24][OH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:90772
chebi:90772
HDMYXONNVAOHFR-UOLHMMFFSA-M 		(12S)-hydroperoxy-(5Z,8Z,10E,14Z,17Z)-eicosapentaenoate
(12S)-hydroperoxy-(5Z,8Z,10E,14Z-17Z)-eicosapentaenoate
(12S)-hydroperoxy-(5Z,8Z,10E,14Z-17Z)-icosapentaenoate
(5Z,8Z,10E,12S,14Z-17Z)-12-hydroperoxyicosa-5,8,10,14,17-pentaenoate
(5Z,8Z,10E,12S,14Z-17Z)-12-hydroperoxyicosapentaenoate
12(S)-HpEPE(1-)

SLM:000501095
slm:000501095
HDMYXONNVAOHFR-UOLHMMFFSA-M 		(12S)-hydroperoxy-(5Z,8Z,10E,14Z,17Z)-eicosapentaenoate
(12S)-Hp-(5Z,8Z,10E,14Z,17Z)-EPE

CHEBI:78078
chebi:78078
HDMYXONNVAOHFR-QGQBRVLBSA-M 		(5Z,7Z,8Z,10E,14Z,17Z)-12-hydroperoxyeicosapentaenoate
(5Z,8Z,10E,14Z,17Z)-12-hydroperoxyicosa-5,8,10,14,17-pentaenoate
(5Z,8Z,10E,14Z,17Z)-12-hydroperoxyicosapentaenoate
12-HPEPE(1-)

sabiork.compound:30150
sabiorkM:30150
HDMYXONNVAOHFR-UOLHMMFFSA-N 		(5Z,8Z,10E,14Z,17Z)-(12S)-12-Hydroperoxyeicosapentaenoic acid
12(S)-HpEPE

CHEBI:90996
chebi:90996
HDMYXONNVAOHFR-UOLHMMFFSA-N 		12(S)-HpEPE
(12S)-hydroperoxy-(5Z,8Z,10E,14Z-17Z)-eicosapentaenoic acid
(12S)-hydroperoxy-(5Z,8Z,10E,14Z-17Z)-icosapentaenoic acid
(5Z,8Z,10E,12S,14Z-17Z)-12-hydroperoxyicosa-5,8,10,14,17-pentaenoic acid
(5Z,8Z,10E,12S,14Z-17Z)-12-hydroperoxyicosapentaenoic acid
12S-HpEPE
12S-hydroperoxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid

metacyc.compound:CPD-26006
metacycM:CPD-26006
HDMYXONNVAOHFR-UOLHMMFFSA-M 		12(S)-HpEPE
(5Z,8Z,10E,12S,14Z-17Z)-12-hydroperoxyicosa-5,8,10,14,17-pentaenoate

CHEBI:78909
chebi:78909
HDMYXONNVAOHFR-QGQBRVLBSA-N 		12-HPEPE
(5Z,8Z,10E,14Z,17Z)-12-hydroperoxyeicosapentaenoic acid
(5Z,8Z,10E,14Z,17Z)-12-hydroperoxyicosa-5,8,10,14,17-pentaenoic acid
(5Z,8Z,10E,14Z,17Z)-12-hydroperoxyicosapentaenoic acid

metacyc.compound:12-HpEPE
metacycM:12-HpEPE
HDMYXONNVAOHFR-QGQBRVLBSA-M 		12-HpEPE
(5Z,7Z,8Z,10E,14Z,17Z)-12-hydroperoxyeicosapentaenoate
(5Z,8Z,10E,14Z,17Z)-12-hydroperoxyicosa-5,8,10,14,17-pentaenoate
(5Z,8Z,10E,14Z,17Z)-12-hydroperoxyicosapentaenoate

SLM:000389571
slm:000389571
HDMYXONNVAOHFR-QGQBRVLBSA-M 		12-hydroperoxy-(5Z,8Z,10E,14Z,17Z)-eicosapentaenoate
12-Hp-(5Z,8Z,10E,14Z,17Z)-EPE
12-HpEPE

lipidmaps:LMFA03070012
lipidmapsM:LMFA03070012
HDMYXONNVAOHFR-UOLHMMFFSA-N 		12S-HpEPE
12S-hydroperoxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid
FA 20:5
O2