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NKO

Summary
Name:(2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate
Synonyms:16:0 LPA
palmitoyl lysophosphatidic acid
Formula:C19 H39 O7 P
Formal charge:0
Formula weight:410.483 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate
OpenEye OEToolkits1.7.0[(2R)-2-hydroxy-3-phosphonooxy-propyl] hexadecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(OCC(O)COC(=O)CCCCCCCCCCCCCCC)(O)O
SMILES_CANONICALCACTVS3.370CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P](O)(O)=O
SMILESCACTVS3.370CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
SMILESOpenEye OEToolkits1.7.0CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
InChIInChI1.03InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)/t18-/m1/s1
InChIKeyInChI1.03YNDYKPRNFWPPFU-GOSISDBHSA-N

222415

数据于2024-07-10公开中

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