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| Ligand ID | PCK |
| InChI | InChI=1S/C44H84Br4NO8P/c1-6-8-10-12-16-22-28-39(45)41(47)30-24-18-14-20-26-32-43(50)54-36-38(37-56-58(52,53)55-35-34-49(3,4)5)57-44(51)33-27-21-15-19-25-31-42(48)40(46)29-23-17-13-11-9-7-2/h38-42H,6-37H2,1-5H3/p+1/t38-,39-,40+,41+,42+/m1/s1 |
| InChIKey | YUUHMVDKYQRXLY-LPAYBXTFSA-O |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.341 | CCCCCCCC[CH](Br)[CH](Br)CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC[CH](Br)[CH](Br)CCCCCCCC | | OpenEye OEToolkits 1.5.0 | CCCCCCCC[C@H]([C@H](CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br)Br)Br | | OpenEye OEToolkits 1.5.0 | CCCCCCCCC(C(CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC(C(CCCCCCCC)Br)Br)Br)Br | | ACDLabs 10.04 | BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OCC(OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O | | CACTVS 3.341 | CCCCCCCC[C@@H](Br)[C@@H](Br)CCCCCCCC(=O)OC[C@H](CO[P@@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCC |
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| Formula | C44 H85 Br4 N O8 P |
| Name | (7R,18S,19R)-18,19-DIBROMO-7-{[(9S,10S)-9,10-DIBROMOOCTADECANOYL]OXY}-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-P HOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE;
TETRABROMINATED PHOSPHATIDYLCHOLINE;
1,2-DISTEAROYL(9,10-DIBROMO)-SN-GLYCERO-3-PHOSPHOCHOLINE |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 2hg9 Chain M Residue 802
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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