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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > steroidal acyl-coa(4-) > 3,22-dioxochol-4-en-24-oyl-coa(4-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > steroidal acyl-coa(4-) > 3,22-dioxochol-4-en-24-oyl-coa(4-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > steroidal acyl-coa(4-) > 3,22-dioxochol-4-en-24-oyl-coa(4-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > phosphorus molecular entity > phosphorus oxoacids and derivatives > phosphorus oxoacid derivative > phosphoric acid derivative > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > steroidal acyl-coa(4-) > 3,22-dioxochol-4-en-24-oyl-coa(4-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > steroidal acyl-coa(4-) > 3,22-dioxochol-4-en-24-oyl-coa(4-)

Preferred term

3,22-dioxochol-4-en-24-oyl-coa(4-)  

Type

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

Broader concept

charge

  • -4

formula

  • C45H64N7O19P3S

inchi

  • InChI=1S/C45H68N7O19P3S/c1-24(28-8-9-29-27-7-6-25-18-26(53)10-13-44(25,4)30(27)11-14-45(28,29)5)31(54)19-34(56)75-17-16-47-33(55)12-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-32-37(70-72(60,61)62)36(57)42(69-32)52-23-51-35-39(46)49-22-50-40(35)52/h18,22-24,27-30,32,36-38,42,57-58H,6-17,19-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/p-4/t24-,27-,28+,29-,30-,32+,36+,37+,38-,42+,44-,45+/m0/s1

inchikey

  • MUOUYOUSQGFFIP-GDRSPGQTSA-J

is_conjugate_base_of

mass

  • 1132.01400

monoisotopicmass

  • 1131.32125

smiles

  • C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=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)n1cnc2c(N)ncnc12

subset

  • 3_STAR

synonym RELATED

  • 3,22-diketochol-4-en-24-oyl-CoA(4-)
  • 3,22-diketochol-4-en-24-oyl-coenzyme A(4-)
  • 3,22-dioxochol-4-en-24-oyl-CoA
  • 3,22-dioxochol-4-en-24-oyl-coenzyme A(4-)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:86014

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