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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > ascr#9-coa(4-)

Preferred term

ascr#9-coa(4-)  

Type

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

Broader concept

charge

  • -4

formula

  • C32H50N7O21P3S

inchi

  • InChI=1S/C32H54N7O21P3S/c1-16(56-31-19(41)11-18(40)17(2)57-31)5-6-22(43)64-10-9-34-21(42)7-8-35-29(46)26(45)32(3,4)13-55-63(52,53)60-62(50,51)54-12-20-25(59-61(47,48)49)24(44)30(58-20)39-15-38-23-27(33)36-14-37-28(23)39/h14-20,24-26,30-31,40-41,44-45H,5-13H2,1-4H3,(H,34,42)(H,35,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/p-4/t16-,17+,18-,19-,20-,24-,25-,26+,30-,31-/m1/s1

inchikey

  • HVPROCKVGKTEMD-XLWBODOSSA-J

mass

  • 993.762

monoisotopicmass

  • 993.20153

smiles

  • C[C@H](CCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:139716

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