NKN

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

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

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9 entries where NKN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	60
Chiral Atom Count	1
Bond Count	59
Aromatic Bond Count	0

2D diagram of NKN

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Chemical Component Summary
Name	(2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate
Synonyms	14:0 LPA; myristoyl lysophosphatidic acid
Systematic Name (OpenEye OEToolkits)	[(2R)-2-hydroxy-3-phosphonooxy-propyl] tetradecanoate
Formula	C₁₇ H₃₅ O₇ P
Molecular Weight	382.429
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(OCC(O)COC(=O)CCCCCCCCCCCCC)(O)O
SMILES	CACTVS	3.370	CCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.7.0	CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
Canonical SMILES	CACTVS	3.370	CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22)/t16-/m1/s1
InChIKey	InChI	1.03	FAZBDRGXCKPVJU-MRXNPFEDSA-N

Related Resource References

Resource Name	Reference
PubChem	9547180
ChEBI	CHEBI:62833

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