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| Ligand ID | VQY |
| InChI | InChI=1S/C36H52NO5P/c1-29(30-18-13-10-14-19-30)36-24-23-34(38)33(36)28-32(35(36)31-20-15-11-16-21-31)22-12-8-6-5-7-9-17-26-41-43(39,40)42-27-25-37(2,3)4/h10-11,13-16,18-21,33-34,38H,1,5-9,12,17,22-28H2,2-4H3/p+1/t33-,34+,36-/m0/s1 |
| InChIKey | MBOVKUNNAXYQOK-LFBNJJMOSA-O |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | C[N+](C)(C)CCO[P](O)(=O)OCCCCCCCCCC1=C(c2ccccc2)[C]3(CC[CH](O)[CH]3C1)C(=C)c4ccccc4 | | CACTVS 3.385 | C[N+](C)(C)CCO[P](O)(=O)OCCCCCCCCCC1=C(c2ccccc2)[C@@]3(CC[C@@H](O)[C@@H]3C1)C(=C)c4ccccc4 | | OpenEye OEToolkits 2.0.7 | C[N+](C)(C)CCOP(=O)(O)OCCCCCCCCCC1=C(C2(CCC(C2C1)O)C(=C)c3ccccc3)c4ccccc4 | | ACDLabs 12.01 | c4ccc(C(/C31C(CC(=C1c2ccccc2)CCCCCCCCCOP(OCC[N+](C)(C)C)(=O)O)C(O)CC3)=C)cc4 | | OpenEye OEToolkits 2.0.7 | C[N+](C)(C)CCOP(=O)(O)OCCCCCCCCCC1=C([C@@]2(CC[C@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4 |
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| Formula | C36 H53 N O5 P |
| Name | 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 7jye Chain A Residue 601
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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