PDB CCD ID: | 43Y |
Number of entries in BioLiP: | 8 |
Chemical formula: | C14 H29 N O8 P |
InChI: | InChI=1S/C14H28NO8P/c1-6-13(16)20-10-12(23-14(17)7-2)11-22-24(18,19)21-9-8-15(3,4)5/h12H,6-11H2,1-5H3/p+1/t12-/m1/s1 |
InChIKey: | LMBVWVMURYPSQM-GFCCVEGCSA-O |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.6 | CCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC | OpenEye OEToolkits 1.7.6 | CCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC | CACTVS 3.385 | CCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CC | CACTVS 3.385 | CCC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CC | ACDLabs 12.01 | O=C(OCC(OC(=O)CC)COP(=O)(OCC[N+](C)(C)C)O)CC |
|
Name: | [(2R)-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] propanoate; 1,2-dipropionyl-sn-glycero-3-phosphocholine |
ZINC: | ZINC000013508374 |