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Obsolete: PC2

PC2 was replaced with PC1 on
Summary
Name:DI-STEAROYL-3-SN-PHOSPHATIDYLCHOLINE
Formula:C44 H89 N O8 P
Formal charge:1
Formula weight:791.153 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(4S,7R)-4-hydroxy-N,N,N-trimethyl-7-(octadecanoyloxy)-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide
OpenEye OEToolkits1.7.62-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCCCC
InChIInChI1.03InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/p+1/t42-/m1/s1
InChIKeyInChI1.03NRJAVPSFFCBXDT-HUESYALOSA-O
SMILES_CANONICALCACTVS3.370CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
SMILESCACTVS3.370CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
SMILESOpenEye OEToolkits1.7.6CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC

221716

PDB entries from 2024-06-26

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