Structure of PDB 6nhh Chain A Binding Site BS04 |
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| Ligand ID | 8SP |
| InChI | InChI=1S/C22H42NO10P/c1-3-5-7-9-11-13-20(24)30-15-18(33-21(25)14-12-10-8-6-4-2)16-31-34(28,29)32-17-19(23)22(26)27/h18-19H,3-17,23H2,1-2H3,(H,26,27)(H,28,29)/t18-,19+/m1/s1 |
| InChIKey | TWOCGGYLNFTSJO-MOPGFXCFSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.370 | CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCC | | OpenEye OEToolkits 1.7.6 | CCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCC | | OpenEye OEToolkits 1.7.6 | CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC | | CACTVS 3.370 | CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC | | ACDLabs 12.01 | O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCC)CCCCCCC |
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| Formula | C22 H42 N O10 P |
| Name | O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine |
| ChEMBL | |
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| PDB chain | 6nhh Chain A Residue 1005
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