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| Ligand ID | 18C |
| 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 |
| InChIKey | VODZWWMEJITOND-NXCSZAMKSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.341 | CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC | | ACDLabs 10.04 | O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC | | OpenEye OEToolkits 1.5.0 | CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O | | OpenEye OEToolkits 1.5.0 | CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](\C=C\CCCCCCCCCCCCC)O | | CACTVS 3.341 | CCCCCCCCCCCCCCCCCC(=O)N[CH](CO)[CH](O)C=CCCCCCCCCCCCCC |
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| Formula | C36 H71 N O3 |
| Name | N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)STEARAMIDE;
C18-CERAMIDE;
N-STEAROYL-D-ERYTHRO-SPHINGOSINE;
(2S,3R,4E)-2-STEAROYLAMINOOCTADEC-4-ENE-1,3-DIOL;
(2S,3R,4E)-2-STEAROYLAMINO-1,3-OCTADEC-4-ENEDIOL |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000016051949
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| PDB chain | 2e3q Chain A Residue 600
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[View ligand structure]
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