OU9

[(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate

Created:	2022-09-21
Last modified:	2023-07-12

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1 entries where OU9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	78
Chiral Atom Count	1
Bond Count	77
Aromatic Bond Count	0

2D diagram of OU9

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Chemical Component Summary
Name	[(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate
Systematic Name (OpenEye OEToolkits)	[(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate
Formula	C₂₃ H₄₆ N O₇ P
Molecular Weight	479.588
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCCCCCC=CCCCCCCCC(=O)O[CH](CO)CO[P](O)(=O)OCCN
SMILES	OpenEye OEToolkits	3.1.0.0	CCCCCCCCC=CCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN
Canonical SMILES	CACTVS	3.385	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@@H](CO)CO[P](O)(=O)OCCN
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COP(=O)(O)OCCN
InChI	InChI	1.06	InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m0/s1
InChIKey	InChI	1.06	NOVZJYYJYIFXJC-DYYZXQNHSA-N

Related Resource References

Resource Name	Reference
PubChem	87662549

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.