Showing chemical card for 6-(4-{[(dihydroxycarbonimidoyl)oxy]methyl}-5,10,10-trihydroxy-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid (CFc000121114)
6-(4-{[(dihydroxycarbonimidoyl)oxy]methyl}-5,10,10-trihydroxy-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of ({5,10,10-trihydroxy-2,6-diimino-decahydropyrrolo[1,2-c]purin-4-yl}methoxy)carboximidic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via a hydroxylamine-n-glucuronidation reaction. This hydroxylamine-n-glucuronidation occurs in humans.
MOL for CFc000121114 (6-(4-{[(dihydroxycarbonimidoyl)oxy]methyl}-5,10,10-trihydroxy-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid)
3D MOL for CFc000121114 (6-(4-{[(dihydroxycarbonimidoyl)oxy]methyl}-5,10,10-trihydroxy-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid)
3D SDF for CFc000121114 (6-(4-{[(dihydroxycarbonimidoyl)oxy]methyl}-5,10,10-trihydroxy-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid)
3D-SDF for CFc000121114 (6-(4-{[(dihydroxycarbonimidoyl)oxy]methyl}-5,10,10-trihydroxy-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid)
PDB for CFc000121114 (6-(4-{[(dihydroxycarbonimidoyl)oxy]methyl}-5,10,10-trihydroxy-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid)
3D PDB for CFc000121114 (6-(4-{[(dihydroxycarbonimidoyl)oxy]methyl}-5,10,10-trihydroxy-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid)
SMILES for CFc000121114 (6-(4-{[(dihydroxycarbonimidoyl)oxy]methyl}-5,10,10-trihydroxy-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid)
INCHI for CFc000121114 (6-(4-{[(dihydroxycarbonimidoyl)oxy]methyl}-5,10,10-trihydroxy-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid)
Structure for CFc000121114 (6-(4-{[(dihydroxycarbonimidoyl)oxy]methyl}-5,10,10-trihydroxy-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid)
3D Structure for CFc000121114 (6-(4-{[(dihydroxycarbonimidoyl)oxy]methyl}-5,10,10-trihydroxy-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid)
Belongs to the class of organic compounds known as saxitoxins, gonyautoxins, and derivatives. Saxitoxins, gonyautoxins, and derivatives are compounds with a structure based on a 2,6-diamino-4-methyl-pyrrolo[1,2-c]purin-10-ol skeleton.
