N-tetracosanoylsphingosine
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CAS Number 102917-80-6
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Catalog Number io-406847
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Molecular Weight 650.1000
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SMILES
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N-tetracosanoylsphingosine is a N-acylsphingosine in which the ceramide N-acyl group is specified as tetracosanoyl. It has a role as a mouse metabolite. It is a N-acylsphingosine, a Cer(d42:1) and a N-(very-long-chain fatty acyl)-sphingoid base. It is functionally related to a tetracosanoic acid.
| 1 | C24 Ceramide |
| 2 | Lignoceric Ceramide |
| 3 | N-tetracosanoylsphingosine |
| 4 | Cer(d18:1/24:0) |
| 5 | C24-Ceramide |
| Molecular Formula | C42H83NO3 |
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| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 650.1000 |
| InChIKey | ZJVVOYPTFQEGPH-AUTSUKAISA-N |
| InChI | InChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,40-41,44-45H,3-34,36,38-39H2,1-2H3,(H,43,46)/b37-35+/t40-,41+/m0/s1 |
| XLogP | 17.2000 |
| ExactMass | 649.6373 |
| MonoisotopicMass | 649.6373 |
| TPSA | 69.6000 |
| Complexity | 622.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 3 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 38 |
| HeavyAtomCount | 46 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 2 |
| DefinedAtomStereoCount | 2 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 1 |
| DefinedBondStereoCount | 1 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 396 |
| PatentFamilyCount | 147 |
| LiteratureCount | 76 |
