| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-03-04 17:43:36 UTC |
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| Update Date | 2020-04-22 16:09:49 UTC |
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| BMDB ID | BMDB0066116 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | PE(MonoMe(9,5)/MonoMe(9,5)) |
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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(9,5)/MonoMe(9,5)) | SMPDB | | Phosphatidylethanolamine(9M5/9M5) | SMPDB | | Phosphatidylethanolamine(MonoMe(9,5)/MonoMe(9,5)) | SMPDB | | PE(9M5/9M5) | SMPDB |
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| Chemical Formula | C43H74NO10P |
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| Average Molecular Weight | 796.0221 |
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| Monoisotopic Molecular Weight | 795.505034105 |
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| IUPAC Name | (2-aminoethoxy)[(2R)-2,3-bis({[9-(3-methyl-5-pentylfuran-2-yl)nonanoyl]oxy})propoxy]phosphinic acid |
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| Traditional Name | 2-aminoethoxy((2R)-2,3-bis({[9-(3-methyl-5-pentylfuran-2-yl)nonanoyl]oxy})propoxy)phosphinic acid |
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| CAS Registry Number | Not Available |
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| SMILES | [H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C |
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| InChI Identifier | InChI=1S/C43H74NO10P/c1-5-7-17-23-37-31-35(3)40(52-37)25-19-13-9-11-15-21-27-42(45)49-33-39(34-51-55(47,48)50-30-29-44)54-43(46)28-22-16-12-10-14-20-26-41-36(4)32-38(53-41)24-18-8-6-2/h31-32,39H,5-30,33-34,44H2,1-4H3,(H,47,48)/t39-/m1/s1 |
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| InChI Key | SCYOTUFGGDJTAS-LDLOPFEMSA-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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