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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organophosphate oxoanion > cangrelor(4-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organophosphate oxoanion > cangrelor(4-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > organophosphate oxoanion > cangrelor(4-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > phosphorus molecular entity > phosphorus oxoacids and derivatives > phosphorus oxoacid derivative > phosphoric acid derivative > organophosphate oxoanion > cangrelor(4-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > organophosphate oxoanion > cangrelor(4-)
... > chemical entity > molecular entity > ion > anion > organic anion > organophosphonate oxoanion > cangrelor(4-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organophosphonate oxoanion > cangrelor(4-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > organophosphonate oxoanion > cangrelor(4-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > phosphorus molecular entity > phosphorus oxoacids and derivatives > organophosphonate oxoanion > cangrelor(4-)

Preferred term

cangrelor(4-)  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • -4

formula

  • C17H21Cl2F3N5O12P3S2

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)/p-4/t8-,10-,11-,14-/m1/s1

inchikey

  • PAEBIVWUMLRPSK-IDTAVKCVSA-J

is_conjugate_base_of

mass

  • 772.330

monoisotopicmass

  • 770.91921

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(phosphonato)methyl]phosphinato}oxy)phosphinato]-N-[2-(methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosine

synonym RELATED

  • cangrelor tetra-anion
  • cangrelor tetraanion

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:90843

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