30W

N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide

Created:	2014-05-16
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where 30W is found as a standalone ligand10 entries where 30W is covalently linked to polymer or other heterogen groups

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	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	6

2D diagram of 30W

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide
Synonyms	Acetyl 6-formylpterin
Systematic Name (OpenEye OEToolkits)	N-(6-methanoyl-4-oxidanylidene-3H-pteridin-2-yl)ethanamide
Formula	C₉ H₇ N₅ O₃
Molecular Weight	233.184
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC2=Nc1ncc(nc1C(=O)N2)C=O)C
SMILES	CACTVS	3.385	CC(=O)NC1=Nc2ncc(C=O)nc2C(=O)N1
SMILES	OpenEye OEToolkits	1.9.2	CC(=O)NC1=Nc2c(nc(cn2)C=O)C(=O)N1
Canonical SMILES	CACTVS	3.385	CC(=O)NC1=Nc2ncc(C=O)nc2C(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.9.2	CC(=O)NC1=Nc2c(nc(cn2)C=O)C(=O)N1
InChI	InChI	1.03	InChI=1S/C9H7N5O3/c1-4(16)11-9-13-7-6(8(17)14-9)12-5(3-15)2-10-7/h2-3H,1H3,(H2,10,11,13,14,16,17)
InChIKey	InChI	1.03	DDBCPKAHJKOGKK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135447887, 279446
ChEMBL	CHEMBL1742248
ChEBI	CHEBI:82729

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.