XKP

(11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate

Created:	2020-12-18
Last modified:	2021-09-22

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3 entries where XKP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	79
Chiral Atom Count	1
Bond Count	78
Aromatic Bond Count	0

2D diagram of XKP

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Chemical Component Summary
Name	(11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate
Systematic Name (OpenEye OEToolkits)	[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octanoyloxy-propan-2-yl] decanoate
Formula	C₂₃ H₄₆ N O₈ P
Molecular Weight	495.587
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(CCCCCCCCC)(=O)OC(COC(=O)CCCCCCC)COP(O)(=O)OCCN
SMILES	CACTVS	3.385	CCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCC)CO[P](O)(=O)OCCN
SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COP(=O)(O)OCCN
Canonical SMILES	CACTVS	3.385	CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)CO[P](O)(=O)OCCN
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COP(=O)(O)OCCN
InChI	InChI	1.03	InChI=1S/C23H46NO8P/c1-3-5-7-9-10-12-14-16-23(26)32-21(20-31-33(27,28)30-18-17-24)19-29-22(25)15-13-11-8-6-4-2/h21H,3-20,24H2,1-2H3,(H,27,28)/t21-/m1/s1
InChIKey	InChI	1.03	VYUSSAVVRCGYLY-OAQYLSRUSA-N

Related Resource References

Resource Name	Reference
PubChem	135393491

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.