HHS

6-CARBOXYPTERIN

Created:	2009-03-12
Last modified:	2021-03-13

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2 entries where HHS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

2D diagram of HHS

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Chemical Component Summary
Name	6-CARBOXYPTERIN
Synonyms	2-amino-4-oxo-3,4-dihydropteridine-6-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2-amino-4-oxo-3H-pteridine-6-carboxylic acid
Formula	C₇ H₅ N₅ O₃
Molecular Weight	207.146
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c1nc2C(=O)NC(=Nc2nc1)N
SMILES	CACTVS	3.341	NC1=Nc2ncc(nc2C(=O)N1)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1c(nc2c(n1)N=C(NC2=O)N)C(=O)O
Canonical SMILES	CACTVS	3.341	NC1=Nc2ncc(nc2C(=O)N1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c(nc2c(n1)N=C(NC2=O)N)C(=O)O
InChI	InChI	1.03	InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h1H,(H,14,15)(H3,8,9,11,12,13)
InChIKey	InChI	1.03	QABAUCFGPWONOG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	70361, 135403803, 5320887
ChEMBL	CHEMBL566727
ChEBI	CHEBI:88937

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.