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Concept information

Preferred term

adenosine thiamine diphosphate  

Type

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

charge

  • +1

formula

  • C22H30N9O10P2S

inchi

  • InChI=1S/C22H29N9O10P2S/c1-11-15(44-10-30(11)6-13-5-25-12(2)29-19(13)23)3-4-38-42(34,35)41-43(36,37)39-7-14-17(32)18(33)22(40-14)31-9-28-16-20(24)26-8-27-21(16)31/h5,8-10,14,17-18,22,32-33H,3-4,6-7H2,1-2H3,(H5-,23,24,25,26,27,29,34,35,36,37)/p+1/t14-,17+,18+,22-/m1/s1

inchikey

  • YLSJMTRFGUMRTH-HPXJRWHBSA-O

mass

  • 674.540

monoisotopicmass

  • 674.13061

smiles

  • S1C(CCOP(OP(OC[C@H]2O[C@@H](N3C4=NC=NC(N)=C4N=C3)[C@@H](O)[C@H]2O)(O)=O)(O)=O)=C([N+](CC=5C(=NC(=NC5)C)N)=C1)C

subset

  • 2_STAR

synonym EXACT

  • [2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] [(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:185155

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