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carbovir triphosphate

Properties

Image

Occurences in reactions

MNX_ID

MNXM2647

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₁H₁₆N₅O₁₁P₃

charge

mass

487.00592

reference

chebi:64174

InChIKey

CQCAEOCIDCCJDQ-RQJHMYQMSA-N

InChI

InChI=1S/C11H16N5O11P3/c12-11-14-9-8(10(17)15-11)13-5-16(9)7-2-1-6(3-7)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5-7H,3-4H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,12,14,15,17)/t6-,7+/m1/s1

SMILES

Nc1nc2c(ncn2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)c(=O)[nH]1

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:64174 chebi:64174	carbovir triphosphate (-)-carbovir 5'-triphosphate (-)-carbovir triphosphate (1S-cis)-triphosphoric acid, P-((4-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl) ester [(1S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)cyclopent-2-en-1-yl]methyl tetrahydrogen triphosphate carbovir 5'-triphosphate
hmdb:HMDB0061723	Carbovir Triphosphate (-)-Carbovir 5'-triphosphate (-)-Carbovir 5'-triphosphoric acid (-)-Carbovir triphosphate (-)-Carbovir triphosphoric acid (1S-cis)-Triphosphate, p-((4-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl) ester (1S-cis)-Triphosphoric acid, p-((4-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl) ester ({[({[(1S,4R)-4-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)cyclopent-2-en-1-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid CBV-TP Carbovir 5'-triphosphate Carbovir 5'-triphosphoric acid Carbovir triphosphoric acid carbovir triphosphate
reactome:R-ALL-2162091 reactomeM:R-ALL-2162091	carbovir triphosphate xenobiotic
hmdb:HMDB61723	secondary/obsolete/fantasy identifier