Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 23:08:49 UTC |
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Update Date | 2020-05-21 16:28:40 UTC |
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BMDB ID | BMDB0004243 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 12(S)-HPETE |
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Description | 12(S)-HPETE, also known as 12-hpete or omega-9 hpaa, belongs to the class of organic compounds known as hydroperoxyeicosatetraenoic acids. These are eicosanoic acids with an attached hydroperoxyl group and four CC double bonds. Thus, 12(S)-hpete is considered to be an eicosanoid lipid molecule. 12(S)-HPETE is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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Structure | |
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Synonyms | Value | Source |
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(5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyeicosa-5,8,10,14-tetraenoate | ChEBI | (5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8,10,14-tetraenoate | ChEBI | (5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8,10,14-tetraenoic acid | ChEBI | 12-HpETE | ChEBI | 12-Hydroperoxyeicosatetraenoate | ChEBI | 12-Hydroperoxyeicosatetraenoic acid | ChEBI | 12-Hydroperoxyicosatetraenoate | ChEBI | 12-Hydroperoxyicosatetraenoic acid | ChEBI | 12-Oohete | ChEBI | Arachidonic acid omega-9 hydroperoxide | ChEBI | Omega-9 hpaa | ChEBI | Omega-9-hydroperoxyarachidonic acid | ChEBI | (5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyeicosa-5,8,10,14-tetraenoic acid | Generator | Arachidonate omega-9 hydroperoxide | Generator | Omega-9-hydroperoxyarachidonate | Generator | (5Z,8Z,10E,12S,14Z)-12-Hydroperoxyicosa-5,8,10,14-tetraenoic acid | HMDB | (5Z,8Z,10E,12S,14Z)-12-Hydroperoxyicosa-5,8,10,14-tetraenoate | HMDB | 12-HPETE, (S-(e,e,e))-isomer | HMDB | 12-L-Hydroperoxy-5,8,10,14-eicosatetraenoic acid | HMDB | 12-Hydroperoxy-5,8,10,14-icosatetraenoic acid | HMDB | 12-HPETE, (e,Z,Z,Z)-isomer | HMDB | 12-HPETE, (S-(e,Z,Z,Z))-isomer | HMDB |
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Chemical Formula | C20H32O4 |
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Average Molecular Weight | 336.4657 |
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Monoisotopic Molecular Weight | 336.230059512 |
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IUPAC Name | (5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoic acid |
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Traditional Name | 12-HpETE |
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CAS Registry Number | 71774-10-2 |
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SMILES | CCCCC\C=C/C[C@H](OO)\C=C\C=C/C\C=C/CCCC(O)=O |
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InChI Identifier | 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)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1 |
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InChI Key | ZIOZYRSDNLNNNJ-LQWMCKPYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as hydroperoxyeicosatetraenoic acids. These are eicosanoic acids with an attached hydroperoxyl group and four CC double bonds. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Eicosanoids |
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Direct Parent | Hydroperoxyeicosatetraenoic acids |
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Alternative Parents | |
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Substituents | - Hydroperoxyeicosatetraenoic acid
- Long-chain fatty acid
- Hydroperoxy fatty acid
- Fatty acid
- Unsaturated fatty acid
- Allylic hydroperoxide
- Hydroperoxide
- Carboxylic acid derivative
- Alkyl hydroperoxide
- Carboxylic acid
- Peroxol
- Monocarboxylic acid or derivatives
- Carbonyl group
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Status | Expected but not Quantified |
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Origin | |
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Biofunction | Not Available |
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Application | Not Available |
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Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
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Physical Properties |
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State | Liquid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | |
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