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| Ligand ID | Y73 |
| InChI | InChI=1S/C42H81NO3/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/h17-18,35,37,40-41,44-45H,3-16,19-34,36,38-39H2,1-2H3,(H,43,46)/b18-17?,37-35+/t40-,41-/m1/s1 |
| InChIKey | VJSBNBBOSZJDKB-MHVYWWPXSA-N |
| SMILES | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(NC(CO)C(O)\C=C\CCCCCCCCCCCCC)CCCCCCCCCCCCC/C=C\CCCCCCCC | | OpenEye OEToolkits 2.0.7 | CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC)O | | CACTVS 3.385 | CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](CO)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC | | OpenEye OEToolkits 2.0.7 | CCCCCCCCCCCCC/C=C/[C@H]([C@@H](CO)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O | | CACTVS 3.385 | CCCCCCCCCCCCCC=C[CH](O)[CH](CO)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC |
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| Formula | C42 H81 N O3 |
| Name | N-[(2R,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8t4z Chain A Residue 401
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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