Showing chemical card for 3,4,5-trihydroxy-6-[5,10,10-trihydroxy-4-(hydroxymethyl)-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl]oxane-2-carboxylic acid (CFc000121112)
3,4,5-trihydroxy-6-[5,10,10-trihydroxy-4-(hydroxymethyl)-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl]oxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 4-(hydroxymethyl)-2,6-diimino-decahydropyrrolo[1,2-c]purine-5,10,10-triol. 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 CFc000121112 (3,4,5-trihydroxy-6-[5,10,10-trihydroxy-4-(hydroxymethyl)-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl]oxane-2-carboxylic acid)
3D MOL for CFc000121112 (3,4,5-trihydroxy-6-[5,10,10-trihydroxy-4-(hydroxymethyl)-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl]oxane-2-carboxylic acid)
3D SDF for CFc000121112 (3,4,5-trihydroxy-6-[5,10,10-trihydroxy-4-(hydroxymethyl)-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl]oxane-2-carboxylic acid)
3D-SDF for CFc000121112 (3,4,5-trihydroxy-6-[5,10,10-trihydroxy-4-(hydroxymethyl)-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl]oxane-2-carboxylic acid)
PDB for CFc000121112 (3,4,5-trihydroxy-6-[5,10,10-trihydroxy-4-(hydroxymethyl)-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl]oxane-2-carboxylic acid)
3D PDB for CFc000121112 (3,4,5-trihydroxy-6-[5,10,10-trihydroxy-4-(hydroxymethyl)-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl]oxane-2-carboxylic acid)
SMILES for CFc000121112 (3,4,5-trihydroxy-6-[5,10,10-trihydroxy-4-(hydroxymethyl)-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl]oxane-2-carboxylic acid)
INCHI for CFc000121112 (3,4,5-trihydroxy-6-[5,10,10-trihydroxy-4-(hydroxymethyl)-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl]oxane-2-carboxylic acid)
Structure for CFc000121112 (3,4,5-trihydroxy-6-[5,10,10-trihydroxy-4-(hydroxymethyl)-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl]oxane-2-carboxylic acid)
3D Structure for CFc000121112 (3,4,5-trihydroxy-6-[5,10,10-trihydroxy-4-(hydroxymethyl)-2,6-diimino-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl]oxane-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.
