| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-03-04 17:43:20 UTC |
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| Update Date | 2020-04-22 16:09:43 UTC |
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| BMDB ID | BMDB0066101 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | PE(MonoMe(13,5)/DiMe(13,5)) |
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| Description | Not Available |
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| Structure | |
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| Synonyms | | Value | Source |
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| PE(MonoMe(13,5)/DiMe(13,5)) | SMPDB | | Phosphatidylethanolamine(13M5/13D5) | SMPDB | | Phosphatidylethanolamine(MonoMe(13,5)/DiMe(13,5)) | SMPDB | | PE(13M5/13D5) | SMPDB |
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| Chemical Formula | C52H92NO10P |
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| Average Molecular Weight | 922.2613 |
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| Monoisotopic Molecular Weight | 921.645884681 |
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| IUPAC Name | (2-aminoethoxy)[(2R)-2-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-3-{[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyl]oxy}propoxy]phosphinic acid |
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| Traditional Name | 2-aminoethoxy((2R)-2-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-3-{[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyl]oxy}propoxy)phosphinic acid |
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| CAS Registry Number | Not Available |
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| SMILES | [H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C |
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| InChI Identifier | InChI=1S/C52H92NO10P/c1-6-8-26-32-46-40-43(3)48(61-46)33-28-22-18-14-10-12-16-20-24-30-36-51(54)58-41-47(42-60-64(56,57)59-39-38-53)62-52(55)37-31-25-21-17-13-11-15-19-23-29-35-50-45(5)44(4)49(63-50)34-27-9-7-2/h40,47H,6-39,41-42,53H2,1-5H3,(H,56,57)/t47-/m1/s1 |
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| InChI Key | IOYAIJYRLVCGHS-QZNUWAOFSA-N |
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| Chemical Taxonomy |
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| Description | This compound belongs to the class of organic compounds known as phosphatidylethanolamines. These are glycerophosphoetahnolamines in which two fatty acids are bonded to the glycerol moiety through ester linkages. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Glycerophospholipids |
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| Sub Class | Glycerophosphoethanolamines |
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| Direct Parent | Phosphatidylethanolamines |
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| Alternative Parents | |
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| Substituents | - Diacylglycero-3-phosphoethanolamine
- Furanoid fatty acid
- Phosphoethanolamine
- Fatty acid ester
- Dialkyl phosphate
- Dicarboxylic acid or derivatives
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Fatty acyl
- Heteroaromatic compound
- Furan
- Carboxylic acid ester
- Amino acid or derivatives
- Oxacycle
- Carboxylic acid derivative
- Organoheterocyclic compound
- Carbonyl group
- Organonitrogen compound
- Primary aliphatic amine
- Organooxygen compound
- Organic oxygen compound
- Organic nitrogen compound
- Amine
- Hydrocarbon derivative
- Organopnictogen compound
- Organic oxide
- Primary amine
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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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
- Intracellular membrane
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| Physical Properties |
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| State | Not Available |
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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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