PSF

1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE

Created:2000-01-12
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count64
Chiral Atom Count2
Bond Count63
Aromatic Bond Count0
2D diagram of PSF

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Chemical Component Summary

Name1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE
SynonymsPHOSPHATIDYLSERINE
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-3-[2,3-di(hexanoyloxy)propoxy-hydroxy-phosphoryl]oxy-propanoic acid
FormulaC18 H34 N O10 P
Molecular Weight455.437
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCC)CCCCC
SMILESCACTVS3.341CCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCC
Canonical SMILESCACTVS3.341 CCCCCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCC
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCC(=O)OCC(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCC
InChIInChI1.03 InChI=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
InChIKeyInChI1.03 MIQYPPGTNIFAPO-CABCVRRESA-N

Related Resource References

Resource NameReference
PubChem 9547083