MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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

	Properties	Image
MNX_ID	MNXM1368929
reference	chebi:57444
formula	C₂₀H₃₁O₄
global charge	-1
mol weight	335.464
InChIKey	ZIOZYRSDNLNNNJ-LQWMCKPYSA-M
InChI	InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/p-1/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
SMILES	CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)[O-])OO

MNX internals

InChI (mnx)	InChI=1/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][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)	14
in models (compartimentalized)	18

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57444 chebi:57444 ZIOZYRSDNLNNNJ-LQWMCKPYSA-M	(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoate (5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoate 12(S)-HPETE anion 12(S)-HPETE(1-)
metacyc.compound:5Z8Z10E14Z-12S-12-HYDROPEROXYICOS metacycM:5Z8Z10E14Z-12S-12-HYDROPEROXYICOS ZIOZYRSDNLNNNJ-LQWMCKPYSA-M	(12S)-HpETE (5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoate
SLM:000000961 slm:000000961 ZIOZYRSDNLNNNJ-LQWMCKPYSA-M	(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoate (12S)-Hp-(5Z,8Z,10E,14Z)-ETE (12S)-HpETE
seed.compound:cpd03554 seedM:cpd03554 ZIOZYRSDNLNNNJ-LQWMCKPYSA-M	12(S)-HPETE (12S)-HPETE (5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoate (5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8,10,14-tetraenoate (5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8,10,14-tetraenoic acid (5Z,8Z,10E,14Z)-(12S)-12-hydroperoxyicosa-5,8,10,14-tetraenoate 12-Hydroperoxyeicosatetraenoate 12-Hydroperoxyeicosatetraenoic acid 12-Hydroperoxyicosatetraenoate 12-Hydroperoxyicosatetraenoic acid
reactome:R-ALL-2142811 reactomeM:R-ALL-2142811 CHEBI:15626 chebi:15626 ZIOZYRSDNLNNNJ-LQWMCKPYSA-N	12(S)-HPETE (5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoic acid (5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyeicosa-5,8,10,14-tetraenoate (5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8,10,14-tetraenoate (5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8,10,14-tetraenoic acid 12-HpETE 12-Hpete 12-Hydroperoxyeicosatetraenoate 12-Hydroperoxyeicosatetraenoic acid 12-Hydroperoxyicosatetraenoate 12-Hydroperoxyicosatetraenoic acid 12-Oohete Arachidonic acid omega-9 hydroperoxide omega-9 Hpaa omega-9-Hydroperoxyarachidonic acid
kegg.compound:C05965 keggC:C05965 ZIOZYRSDNLNNNJ-LQWMCKPYSA-N	12(S)-HPETE (5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8,10,14-tetraenoate (5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8,10,14-tetraenoic acid 12-Hydroperoxyeicosatetraenoate 12-Hydroperoxyeicosatetraenoic acid 12-Hydroperoxyicosatetraenoate 12-Hydroperoxyicosatetraenoic acid
sabiork.compound:8307 sabiorkM:8307 ZIOZYRSDNLNNNJ-LQWMCKPYSA-N	12-HPETE (5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyeicosa-5,8,10,14-tetraenoate (5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8,10,14-tetraenoate (5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8,10,14-tetraenoic acid 12(S)-HPETE 12-Hydroperoxyeicosatetraenoate 12-Hydroperoxyeicosatetraenoic acid 12-Hydroperoxyicosatetraenoate 12-Hydroperoxyicosatetraenoic acid
bigg.metabolite:12HPET biggM:12HPET ZIOZYRSDNLNNNJ-LQWMCKPYSA-M	12-Hydroperoxyeicosa-5,8,10,14-tetraenoate
vmhM:12HPET vmhmetabolite:12HPET ZIOZYRSDNLNNNJ-LQWMCKPYSA-M	12-Hydroperoxyeicosa-5,8,10,14-tetraenoate (5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoic acid
lipidmaps:LMFA03060013 lipidmapsM:LMFA03060013 ZIOZYRSDNLNNNJ-LQWMCKPYSA-N	12S-HpETE 12S-hydroperoxy-5Z,8Z,10E,14Z-eicosatetraenoic acid FA 20:4 O2
chebi:10907 chebi:18593 chebi:19137 chebi:250 chebi:740 biggM:M_12HPET keggC:M_C05965 seedM:M_cpd03554 vmhM:M_12HPET	secondary/obsolete/fantasy identifier