CRM

3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID


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Chemical Component Summary

Name3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID
SynonymsCARBOXYETHYLLUMAZINE
Identifiers3-[2,4,7-trioxo-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1H-pteridin-6-yl]propanoic acid
FormulaC14 H18 N4 O9
Molecular Weight386.314
TypeNON-POLYMER
Isomeric SMILESC(CC(=O)O)C1=NC2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O
InChIInChI=1S/C14H18N4O9/c19-4-7(21)10(24)6(20)3-18-11-9(12(25)17-14(27)16-11)15-5(13(18)26)1-2-8(22)23/h6-7,10,19-21,24H,1-4H2,(H,22,23)(H2,16,17,25,27)/t6-,7+,10-/m0/s1
InChIKeyPTYCEIBBGGLADD-PJKMHFRUSA-N

Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count3
Bond Count46
Aromatic Bond Count11

Drug Info: DrugBank

DrugBank IDDB03883 
NameCarboxyethyllumazine
Groups experimental
SynonymsCarboxyethyllumazine
CAS number29161-67-9

Related Resource References

Resource NameReference
PubChem 185679, 5287980