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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-) > 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-coa(4-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > steroidal acyl-coa(4-) > 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-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-) > 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-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-) > 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-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-) > 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-coa(4-)

Preferred term

9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-coa(4-)  

Type

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

Broader concept

charge

  • -4

formula

  • C43H60N7O19P3S

inchi

  • InChI=1S/C43H64N7O19P3S/c1-23(26-8-9-27-28-7-6-24-18-25(51)10-12-42(24,5)43(28,57)14-13-41(26,27)4)39(56)73-17-16-45-30(52)11-15-46-37(55)34(54)40(2,3)20-66-72(63,64)69-71(61,62)65-19-29-33(68-70(58,59)60)32(53)38(67-29)50-22-49-31-35(44)47-21-48-36(31)50/h10,12,18,21-23,26-29,32-34,38,53-54,57H,6-9,11,13-17,19-20H2,1-5H3,(H,45,52)(H,46,55)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/p-4/t23-,26+,27-,28-,29+,32+,33+,34-,38+,41+,42-,43+/m0/s1

inchikey

  • LADHGLGIICSZTL-ISEMAQJJSA-J

is_conjugate_base_of

mass

  • 1103.96000

monoisotopicmass

  • 1103.28995

smiles

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

  • 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-coenzyme A(4-)
  • 9alpha-hydroxy-3-oxochola-1,4-dien-22-oyl-CoA

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:85547

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