ZSP

2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one

Created:	2013-12-20
Last modified:	2021-03-01

Find Related PDB Entry
1 entries where ZSP 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	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	0

2D diagram of ZSP

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one
Synonyms	Sepiapterin (enol-form)
Systematic Name (OpenEye OEToolkits)	2-azanyl-6-[(Z)-1,2-bis(oxidanyl)prop-1-enyl]-7,8-dihydro-3H-pteridin-4-one
Formula	C₉ H₁₁ N₅ O₃
Molecular Weight	237.215
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C=2N=C(C(\O)=C(\O)C)CNC=2N=C(N)N1
SMILES	CACTVS	3.385	CC(O)=C(O)C1=NC2=C(NC1)N=C(N)NC2=O
SMILES	OpenEye OEToolkits	1.7.6	CC(=C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O
Canonical SMILES	CACTVS	3.385	CC(/O)=C(O)\C1=NC2=C(NC1)N=C(N)NC2=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C/C(=C(\C1=NC2=C(NC1)N=C(NC2=O)N)/O)/O
InChI	InChI	1.03	InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h15-16H,2H2,1H3,(H4,10,11,13,14,17)/b6-3-
InChIKey	InChI	1.03	FYDGMRRMOMSOLR-UTCJRWHESA-N

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.