2K8

(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid

Created:	2013-11-14
Last modified:	2021-03-13

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4 entries where 2K8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	1
Bond Count	25
Aromatic Bond Count	0

2D diagram of 2K8

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Chemical Component Summary
Name	(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid
Synonyms	6-carboxy-5,6,7,8-tetrahydropterin
Systematic Name (OpenEye OEToolkits)	(6R)-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid
Formula	C₇ H₉ N₅ O₃
Molecular Weight	211.178
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C2NC1=C(N=C(N)NC1=O)NC2
SMILES	CACTVS	3.385	NC1=NC2=C(N[CH](CN2)C(O)=O)C(=O)N1
SMILES	OpenEye OEToolkits	1.7.6	C1C(NC2=C(N1)N=C(NC2=O)N)C(=O)O
Canonical SMILES	CACTVS	3.385	NC1=NC2=C(N[C@H](CN2)C(O)=O)C(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.7.6	C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C(=O)O
InChI	InChI	1.03	InChI=1S/C7H9N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h2,10H,1H2,(H,14,15)(H4,8,9,11,12,13)/t2-/m1/s1
InChIKey	InChI	1.03	QSIYONWVWDSRRO-UWTATZPHSA-N

Related Resource References

Resource Name	Reference
PubChem	135566896, 75815422

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