NKO

(2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate

Created:2010-11-05
Last modified:  2021-03-13

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Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count1
Bond Count65
Aromatic Bond Count0
2D diagram of NKO

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Chemical Component Summary

Name(2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate
Synonyms16:0 LPA; palmitoyl lysophosphatidic acid
Systematic Name (OpenEye OEToolkits)[(2R)-2-hydroxy-3-phosphonooxy-propyl] hexadecanoate
FormulaC19 H39 O7 P
Molecular Weight410.483
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(OCC(O)COC(=O)CCCCCCCCCCCCCCC)(O)O
SMILESCACTVS3.370CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O
SMILESOpenEye OEToolkits1.7.0CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
Canonical SMILESCACTVS3.370 CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.7.0 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChIInChI1.03 InChI=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
InChIKeyInChI1.03 YNDYKPRNFWPPFU-GOSISDBHSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL364797
PubChem 6419701
ChEMBL CHEMBL364797
ChEBI CHEBI:15799