NEU

L-NEOPTERIN

Created:	2004-08-20
Last modified:	2020-06-05

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5 entries where NEU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	2
Bond Count	30
Aromatic Bond Count	11

2D diagram of NEU

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Chemical Component Summary
Name	L-NEOPTERIN
Synonyms	2-AMINO-6-((1S,2R)-1,2,3-TRIHYDROXYPROPYL)PTERIDIN-4(3H)-ONE
Systematic Name (OpenEye OEToolkits)	2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-3H-pteridin-4-one
Formula	C₉ H₁₁ N₅ O₄
Molecular Weight	253.215
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)CO
SMILES	CACTVS	3.341	NC1=Nc2ncc(nc2C(=O)N1)[CH](O)[CH](O)CO
SMILES	OpenEye OEToolkits	1.5.0	c1c(nc2c(n1)N=C(NC2=O)N)C(C(CO)O)O
Canonical SMILES	CACTVS	3.341	NC1=Nc2ncc(nc2C(=O)N1)[C@H](O)[C@H](O)CO
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@@H](CO)O)O
InChI	InChI	1.03	InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1
InChIKey	InChI	1.03	BMQYVXCPAOLZOK-XINAWCOVSA-N

Drug Info: DrugBank

DrugBank ID	DB15050
Name	Neopterin
Groups	investigational
Description	Neopterin is under investigation in clinical trial NCT02974192 (Neopterin Effects on Ischemic Stroke).
Synonyms	Neopterin
Categories	Coenzymes Enzymes and Coenzymes Heterocyclic Compounds, Fused-Ring Pteridines Pterins
CAS number	2009-64-5

Related Resource References

Resource Name	Reference
PubChem	448839, 135398721

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.