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PSF

Summary
Name:1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE
Synonyms:PHOSPHATIDYLSERINE
Formula:C18 H34 N O10 P
Formal charge:0
Formula weight:455.437 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04O-[(S)-{[(2R)-2,3-bis(hexanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine
OpenEye OEToolkits1.5.0(2S)-2-amino-3-[2,3-di(hexanoyloxy)propoxy-hydroxy-phosphoryl]oxy-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCC)CCCCC
SMILES_CANONICALCACTVS3.341CCCCCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCC
SMILESCACTVS3.341CCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCC
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCC(=O)OCC(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCC
InChIInChI1.03InChI=1S/C18H34NO10P/c1-3-5-7-9-16(20)26-11-14(29-17(21)10-8-6-4-2)12-27-30(24,25)28-13-15(19)18(22)23/h14-15H,3-13,19H2,1-2H3,(H,22,23)(H,24,25)/t14-,15+/m1/s1
InChIKeyInChI1.03MIQYPPGTNIFAPO-CABCVRRESA-N

222415

數據於2024-07-10公開中

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