Concept information
...
carbon group molecular entity
organic molecular entity
organic amino compound
secondary amino compound
...
nitrogen molecular entity
organonitrogen compound
organic amino compound
secondary amino compound
...
nucleobase-containing molecular entity
nucleoside phosphate
adenosine phosphate
adenosine 5'-phosphate
...
nucleobase-containing molecular entity
nucleoside phosphate
adenosine phosphate
adenosine 5'-phosphate
...
nucleobase-containing molecular entity
nucleoside phosphate
adenosine phosphate
adenosine 5'-phosphate
...
phosphoric acid derivative
phosphoric ester
nucleoside phosphate
nucleoside triphosphate analogue
...
phosphoric acid derivative
phosphoric ester
nucleoside phosphate
nucleoside triphosphate analogue
...
phosphoric acid derivative
organic phosphate
nucleoside phosphate
nucleoside triphosphate analogue
...
phosphoric acid derivative
organic phosphate
nucleoside phosphate
nucleoside triphosphate analogue
...
nitrogen molecular entity
nucleobase-containing molecular entity
nucleoside phosphate
nucleoside triphosphate analogue
Preferred term
cangrelor
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C17H25Cl2F3N5O12P3S2
has_role
- CHEBI:68563
- platelet aggregation inhibitor
inchi
- InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1
inchikey
- PAEBIVWUMLRPSK-IDTAVKCVSA-N
is_conjugate_acid_of
mass
- 776.362
monoisotopicmass
- 774.94831
smiles
- C1(=NC(=C2C(=N1)N(C=N2)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)COP(OP(C(P(O)(=O)O)(Cl)Cl)(=O)O)(=O)O)NCCSC)SCCC(F)(F)F
subset
- 3_STAR
synonym EXACT
- 5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-N-[2-(methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosine
synonym RELATED
- cangrelor
In other languages
-
Persian
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:90841
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