| Record Information |
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| Version | 1.0 |
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| Creation Date | 2018-09-13 16:16:57 UTC |
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| Update Date | 2020-06-04 19:49:44 UTC |
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| BMDB ID | BMDB0063569 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | SM(d18:0/24:1(15Z)) |
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| Description | SM(D18:0/24:1(15Z)), also known as C24:1DH sphingomyelin or SM(D18:0/24:1), belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group. Thus, SM(D18:0/24:1(15Z)) is considered to be a phosphosphingolipid lipid molecule. SM(D18:0/24:1(15Z)) 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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| Sphingomyelin | MetBuilder | | N-(15Z-Tetracosenoyl)-1-phosphocholine-sphinganine | MetBuilder | | Sphingomyelin(D18:0/24:1(15Z)) | MetBuilder | | N-(15Z-Tetracosenoyl)-1-phosphocholine-dihydrosphingosine | MetBuilder | | N-(15Z-Tetracosenoyl)-1-phosphocholine-D-erythro-sphinganine | MetBuilder |
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| Chemical Formula | C47H95N2O6P |
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| Average Molecular Weight | 815.259 |
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| Monoisotopic Molecular Weight | 814.692775785 |
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| IUPAC Name | (2-{[(2S)-3-hydroxy-2-[(15Z)-tetracos-15-enamido]octadecyl phosphono]oxy}ethyl)trimethylazanium |
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| Traditional Name | (2-{[(2S)-3-hydroxy-2-[(15Z)-tetracos-15-enamido]octadecyl phosphono]oxy}ethyl)trimethylazanium |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC |
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| InChI Identifier | InChI=1S/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,45-46,50H,6-19,22-44H2,1-5H3,(H-,48,51,52,53)/b21-20-/t45-,46?/m0/s1 |
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| InChI Key | XZBDYCJQWJNNJB-JQQHYHDESA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Sphingolipids |
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| Sub Class | Phosphosphingolipids |
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| Direct Parent | Phosphosphingolipids |
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| Alternative Parents | |
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| Substituents | - Sphingoid-1-phosphate or derivatives
- Phosphocholine
- Dialkyl phosphate
- Alkyl phosphate
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Tetraalkylammonium salt
- Quaternary ammonium salt
- Secondary alcohol
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Carboximidic acid derivative
- Carboximidic acid
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organic salt
- Organic zwitterion
- Organooxygen compound
- Organonitrogen compound
- Amine
- Alcohol
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Detected and 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 | - Axon
- Cell membrane
- Endosome
- Membrane
- Myelin sheath
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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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