Carboxyethyllumazine
3-[2,4,7-trioxo-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1H-pteridin-6-yl]propanoic acid
Molecular Identity
Carboxyethyllumazine
3-[2,4,7-trioxo-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1H-pteridin-6-yl]propanoic acid
PubChem CID: 185679
2D Structure
Properties
C14H18N4O9
Molecular Formula
386.31
Molecular Weight
g/mol
386.1074
Exact Mass
Da
-4.7
XLogP
Drug-like (Lipinski: < 5)
209
TPSA
May have limited oral absorption
7
H-Bond Donors
10
H-Bond Acceptors
732
Complexity
SMILES
Canonical SMILES
SMILES: C(CC(=O)O)C1=NC2=C(NC(=O)NC2=O)N(C1=O)CC(C(C(CO)O)O)OIsomeric SMILES
SMILES: C(CC(=O)O)C1=NC2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)OSynonyms(20)
CARBOXYETHYLLUMAZINE29161-67-93-{2,4,7-trioxo-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,4,7,8-hexahydropteridin-6-yl}propanoic acid3-(2,4,7-trioxo-8-((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)-1,2,3,4,7,8-hexahydropteridin-6-yl)propanoic acidRefChem:333565Putidolumazine3-(7-HYDROXY-8-RIBITYLLUMAZINE-6-YL) PROPIONIC ACID6-Carboxyethyl-7-oxo-8-D-ribityllumazine3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID1-[6-(2-carboxyethyl)-2,4,7-trioxo-1,3,4,7-tetrahydropteridin-8(2h)-yl]-1-deoxy-d-ribitolLQ7K22HS5KRLPorb3143384SCHEMBL21524595SCHEMBL29884093
Data from PubChem (NCBI)
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