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CHEBI:49365 - 2',3'-O-[(1R,6R)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate)

Default Structure
ChEBI IDCHEBI:49365
ChEBI Name2',3'-O-[(1R,6R)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate)
Stars
DownloadsMolfile
FormulaC16H16N8O16P2
Net Charge0
Average Mass638.292
Monoisotopic Mass638.01595
SMILES[H]OP(=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)[C@]2([H])O[C@@]3(O[C@@]21[H])C([N+](=O)[O-])=C([H])C([N+](=O)[O-])=C([H])[C@@]3([H])[N+](=O)[O-]
InChIInChI=1S/C16H16N8O16P2/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(37-15)3-36-42(34,35)40-41(31,32)33)38-16(39-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7-8,11-12,15H,3H2,(H,34,35)(H2,17,18,19)(H2,31,32,33)/t7-,8-,11-,12-,15-,16-/m1/s1
InChIKeyWYOHYTDXVJMKHS-BENPRDFYSA-N
ChEBI Ontology
Outgoing Relation(s)
2',3'-O-[(1R,6R)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate) (CHEBI:49365) is a unclassifieds (CHEBI:27189)
Synonym  Source
2',3'-O-[(1R,6R)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate)PDBeChem
Manual XrefsDatabases
12DPDBeChem