Carboxyethyllumazine

3-[2,4,7-trioxo-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1H-pteridin-6-yl]propanoic acid

Also Known As: Putidolumazine|CARBOXYETHYLLUMAZINE|KST-1B3400|6-Carboxyethyl-7-oxo-8-D-ribityllumazine|6-Carboxyethyl-7-oxo-8-ribityllumazine|3-(7-HYDROXY-8-RIBITYLLUMAZINE-6-YL) PROPIONIC ACID|J1.895.200I|6-7-oxo-8-7,8-dihydropteridine-2,4 -dione|3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID|6- -7-oxo-8- -7,8-dihydropteridine-2,4 -dione|1-[6-(2-carboxyethyl)-2,4,7-trioxo-1,3,4,7-tetrahydropteridin-8(2h)-yl]-1-deoxy-d-ribitol|3-(7-Hydroxy-8-ribitylaminolumazine-6-yl)propionic acid|3-{2,4,7-trioxo-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,4,7,8-hexahydropteridin-6-yl}propanoic acid|RLP|3-[2,4,7-trioxo-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1H-pteridin-6-yl]propanoic acid|CRM|1,2,3,4,7,8-Hexahydro-2,4,7-trioxo-8-(1-deoxy-D-ribitol-1-yl)pteridine-6-propionic acid|1-[6-(2-Carboxyethyl)-2,4-dihydroxy-7-oxopteridin-8(7H)-yl]-1-deoxy-D-ribitol|1-[6-(2-Carboxyethyl)-2,4-dihydroxy-7-oxopteridin-8(7H)-yl]-1-deoxypentitol|1-[6-(2-Carboxyethyl)-1,3,4,7-tetrahydro-2,4,7-trioxo-8(2H)-pteridinyl]-1-deoxy-D-ribitol|1-[6-(2-Carboxyethyl)-1,3,4,7-tetrahydro-2,4,7-trioxopteridin-8(2H)-yl]-1-deoxy-D-ribitol|1-[6-(2-Carboxyethyl)-3,4-dihydro-7-hydroxy-2,4-dioxo-8(2H)-pteridinyl]-1-deoxy-D-ribitol|1-[6-(2-carboxyethyl)-7-hydroxy-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl]-1-deoxy-D-ribitol|2,3,4,8-Tetrahydro-2,4-dioxo-7-hydroxy-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]pteridine-6-propionic acid|3-(2,4,7-trioxo-8-((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)-1,2,3,4,7,8-hexahydropteridin-6-yl)propanoic acid|3-(2,4,7-TRIS(OXIDANYLIDENE)-8-((2R,3R,4S)-2,3,4,5-TETRAKIS(OXIDANYL)PENTYL)-1H-PTERIDIN-6-YL)PROPANOIC ACID|3-{7-hydroxy-2,4-dioxo-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,3,4,8-tetrahydropteridin-6-yl}propanoic acid|6-(2-Carboxyethyl)-7-oxo-8-(1-deoxo-D-ribose-1-yl)-7,8-dihydropteridine-2,4(1H,3H)-dione|8-[(2S,3S,4R)-2,3,4,5-Tetrahydroxypentyl]-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-propionic acid|D-Ribitol, 1-[6-(2-carboxyethyl)-1,3,4,7-tetrahydro-2,4,7-trioxo-8(2H)-pteridinyl]-1-deoxy-

Molecular Formula	C14H18N4O9
Molecular Weight	386.1074 g/mol
LogP	-4.7
Topological Polar Surface Area	209.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	10
Rotatable Bonds	8
Exact Mass	386.1074
Monoisotopic Mass	386.1074
Heavy Atoms	27
Complexity	732.0

Chemical Identifiers

CAS Number	34698-71-0
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)O
InChIKey	PTYCEIBBGGLADD-PJKMHFRUSA-N