6PH

(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate

Created:	2008-04-30
Last modified:	2021-03-01

Find Related PDB Entry
4 entries where 6PH is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	101
Chiral Atom Count	1
Bond Count	100
Aromatic Bond Count	0

2D diagram of 6PH

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate
Synonyms	PHOSPHATIDIC ACID
Systematic Name (OpenEye OEToolkits)	[(2R)-1-phosphonooxy-3-tridecanoyloxy-propan-2-yl] pentadecanoate
Formula	C₃₁ H₆₁ O₈ P
Molecular Weight	592.785
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)O
SMILES	CACTVS	3.341	CCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCC)CO[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC)COP(=O)(O)O
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)CO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C31H61O8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31(33)39-29(28-38-40(34,35)36)27-37-30(32)25-23-21-19-17-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)/t29-/m1/s1
InChIKey	InChI	1.03	UOOPRMYYAWVCCZ-GDLZYMKVSA-N

Related Resource References

Resource Name	Reference
PubChem	447791

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.