EPM

N-PALMITOYL-L-METHIONINE

Created:	2005-05-23
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where EPM 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	67
Chiral Atom Count	1
Bond Count	66
Aromatic Bond Count	0

2D diagram of EPM

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-PALMITOYL-L-METHIONINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-(hexadecanoylamino)-4-methylsulfanyl-butanoic acid
Formula	C₂₁ H₄₁ N O₃ S
Molecular Weight	387.62
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NC(C(=O)O)CCSC)CCCCCCCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCC(=O)N[CH](CCSC)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)O
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O
InChI	InChI	1.03	InChI=1S/C21H41NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)22-19(21(24)25)17-18-26-2/h19H,3-18H2,1-2H3,(H,22,23)(H,24,25)/t19-/m0/s1
InChIKey	InChI	1.03	FCVASHHBGGKTGT-IBGZPJMESA-N

Related Resource References

Resource Name	Reference
PubChem	486207

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.