N-Stearoylsphingosine
PubChem CID: 5283565
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| Compound Synonyms | C18 Ceramide, 2304-81-6, N-Stearoylsphingosine, N-Stearoyl-D-sphingosine, N-stearoyl-D-erythro-sphingosine, C18-CERAMIDE, Cer(d18:1/18:0), C18 Cer, C18 Ceramide (d18:1/18:0), N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]octadecanamide, Ceramide (d18:1/18:0), N-(octadecanoyl)-sphing-4-enine, N-(stearoyl)-ceramide, N-octadecanoylsphingosine, N-(octadecanoyl)-ceramide, 104404-17-3, N-((E,2s,3r)-1,3-Dihydroxyoctadec-4-En-2-Yl)stearamide, Octadecanamide, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]-, Ceramide (Egg), CMC_12037, N-(stearoyl)ceramide, N-stearoyl sphingosine, N-(octadecanoyl)ceramide, N-stearoylsphing-4-enine, V3Q7C63KSS, N-octadecanoylsphing-4-enine, SCHEMBL760704, N-(octadecanoyl)sphing-4-enine, CHEBI:72961, DTXSID001317818, Ceramide 18, D-erythro-1,3-Dihydroxy-2-octadecanoylamido-trans-4-octadecene, N-Octadecanoylsphingosine, N-Stearoyl-C18-sphingosine, N-Stearoyl-D-erythro-sphingosine, CMC_12704, LMSP02010006, AKOS040754845, N-[(1S,2R,3E)-2-Hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]octadecanamide, 136846-30-5, AS-75860, BP-28817, DB-231033, HY-100355, CS-0018669, N-Stearoyl-D-sphingosine, >=98.0% (TLC), G91463, Q27140214, (2S,3R,4E)-2-(N-stearoylamino)-4-octadecene-1,3-diol, N-((2S,3R,E)-1,3-dihydroxyoctadec-4-en-2-yl)stearamide, N-Stearoyl ceramide (synthetic), C18-Ceramide (synthetic), (2S, 3R, 4E)-2-(N-stearoylamino)-4-octadecene-1,3-diol, N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]octadecanamide, rel-N-((2S,3R,E)-1,3-Dihydroxyoctadec-4-en-2-yl)stearamide, C18 Ceramide (d18:1/18:0), N-stearoyl-D-erythro-sphingosine, powder, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]octadecanamide, octadecanamide, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecenyl]- |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 69.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Ceramides |
| Deep Smiles | CCCCCCCCCCCCCCCCCC=O)N[C@H][C@@H]/C=C/CCCCCCCCCCCCC)))))))))))))))O))CO |
| Heavy Atom Count | 40.0 |
| Pathway Kegg Map Id | map00500 |
| Classyfire Class | Sphingolipids |
| Description | Ceramides (N-acylsphingosine) are one of the hydrolysis byproducts of sphingomyelin by the enzyme sphingomyelinase (sphingomyelin phosphorylcholine phosphohydrolase E.C.3.1.4.12) which has been identified in the subcellular fractions of human epidermis (PMID 25935) and many other tissues. They can also be synthesized from serine and palmitate in a de novo pathway and are regarded as important cellular signals for inducing apoptosis (PMID 14998372). Is key in the biosynthesis of glycosphingolipids and gangliosides. [HMDB] |
| Classyfire Subclass | Ceramides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 536.0 |
| Database Name | fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Enzyme Uniprot Id | P54803, P09848, Q9Y2B2, Q8NHU3, Q86VZ5, P17405, Q16739, Q9BRB3, P37287, Q14442, P57054, Q92535, O95470, Q13510, Q16880, Q9Y5P4, P17900, P04062, P15812, P61916, P27544, P15813, Q9H3S5, Q7Z7B1, Q8TBF5, Q86VD9, Q9BYG0, Q9Y2C3, Q92521, Q07326, Q5H8A4, O95427, Q8TEQ8, Q96S52, Q969N2, Q9H490, Q9NUD9, Q3MUY2, P0C7U2, Q5QJU3, Q9NR71, Q9HCG7, Q8TDN7, Q92636, Q92643 |
| Iupac Name | N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]octadecanamide |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 13.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C36H71NO3 |
| Inchi Key | VODZWWMEJITOND-NXCSZAMKSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 32.0 |
| State | Solid |
| Synonyms | C18 Cer, Cer(D18:1/18:0), N-(Octadecanoyl)-sphing-4-enine, N-(Octadecanoyl)ceramide, N-(Octadecanoyl)sphing-4-enine, N-(Stearoyl)ceramide, N-Octadecanoylsphing-4-enine, N-Stearoylsphing-4-enine, ceramide |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=C/C, CC(=O)NC, CO |
| Compound Name | N-Stearoylsphingosine |
| Exact Mass | 565.543 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 565.543 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 566.0 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)/b31-29+/t34-,35+/m0/s1 |
| Smiles | CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Np Classifier Superclass | Sphingolipids |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Reference:ISBN:9788172363178 - 2. Outgoing r'ship
FOUND_INto/from Vigna Angularis (Plant) Rel Props:Reference:ISBN:9788185042114