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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 > bkas#30-coa(4-)

Preferred term

bkas#30-coa(4-)  

Type

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

Broader concept

charge

  • -4

formula

  • C44H72N7O22P3S

inchi

  • InChI=1S/C44H76N7O22P3S/c1-27(69-43-31(54)22-30(53)28(2)70-43)15-13-11-9-7-5-6-8-10-12-14-16-29(52)21-34(56)77-20-19-46-33(55)17-18-47-41(59)38(58)44(3,4)24-68-76(65,66)73-75(63,64)67-23-32-37(72-74(60,61)62)36(57)42(71-32)51-26-50-35-39(45)48-25-49-40(35)51/h25-28,30-32,36-38,42-43,53-54,57-58H,5-24H2,1-4H3,(H,46,55)(H,47,59)(H,63,64)(H,65,66)(H2,45,48,49)(H2,60,61,62)/p-4/t27-,28+,30-,31-,32-,36-,37-,38+,42-,43-/m1/s1

inchikey

  • IJKXTUNOMVFDCE-YWQCAHSSSA-J

mass

  • 1176.065

monoisotopicmass

  • 1175.36859

smiles

  • C[C@H](CCCCCCCCCCCCC(=O)CC(=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:139875

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