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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 > bhos#24-coa(4-)

Preferred term

bhos#24-coa(4-)  

Type

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

Broader concept

charge

  • -4

formula

  • C41H68N7O22P3S

inchi

  • InChI=1S/C41H72N7O22P3S/c1-25-27(50)20-28(51)40(67-25)64-17-12-10-8-6-4-5-7-9-11-13-26(49)19-31(53)74-18-16-43-30(52)14-15-44-38(56)35(55)41(2,3)22-66-73(62,63)70-72(60,61)65-21-29-34(69-71(57,58)59)33(54)39(68-29)48-24-47-32-36(42)45-23-46-37(32)48/h23-29,33-35,39-40,49-51,54-55H,4-22H2,1-3H3,(H,43,52)(H,44,56)(H,60,61)(H,62,63)(H2,42,45,46)(H2,57,58,59)/p-4/t25-,26+,27+,28+,29+,33+,34+,35-,39+,40+/m0/s1

inchikey

  • FXHNBRLYRCNMEF-BLRFJLJMSA-J

mass

  • 1136.001

monoisotopicmass

  • 1135.33729

smiles

  • C[C@@H]1O[C@@H](OCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:139801

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