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Concept information

Preferred term

ascr#10 CoA(4)  

Type

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

Broader concept

charge

  • -4

formula

  • C36H58N7O21P3S

inchi

  • InChI=1S/C36H62N7O21P3S/c1-20(60-35-23(45)15-22(44)21(2)61-35)9-7-5-6-8-10-26(47)68-14-13-38-25(46)11-12-39-33(50)30(49)36(3,4)17-59-67(56,57)64-66(54,55)58-16-24-29(63-65(51,52)53)28(48)34(62-24)43-19-42-27-31(37)40-18-41-32(27)43/h18-24,28-30,34-35,44-45,48-49H,5-17H2,1-4H3,(H,38,46)(H,39,50)(H,54,55)(H,56,57)(H2,37,40,41)(H2,51,52,53)/p-4/t20-,21+,22-,23-,24-,28-,29-,30+,34-,35-/m1/s1

inchikey

  • RZJQHWLIHIAVBC-OUSLZRTPSA-J

is_conjugate_base_of

mass

  • 1049.870

monoisotopicmass

  • 1049.26413

smiles

  • C[C@H](CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:139617

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