NKP

(2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate

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

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18 entries where NKP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	70
Chiral Atom Count	1
Bond Count	69
Aromatic Bond Count	0

2D diagram of NKP

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Chemical Component Summary
Name	(2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate
Synonyms	18:1 LPA; oleoyl lysophosphatidic acid
Systematic Name (OpenEye OEToolkits)	[(2R)-2-hydroxy-3-phosphonooxy-propyl] (E)-octadec-9-enoate
Formula	C₂₁ H₄₁ O₇ P
Molecular Weight	436.52
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(OCC(O)COC(=O)CCCCCCC/C=C/CCCCCCCC)(O)O
SMILES	CACTVS	3.370	CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.7.0	CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O
Canonical SMILES	CACTVS	3.370	CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](O)CO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9+/t20-/m1/s1
InChIKey	InChI	1.03	WRGQSWVCFNIUNZ-SQUSKLHYSA-N

Related Resource References

Resource Name	Reference
PubChem	49837858

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.