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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-) > fatty acyl-coa(4-) > branched-chain fatty acyl-coa(4-) > methyl-branched fatty acyl-coa(4-) > 4-methylpentanoyl-coa(4-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > fatty acyl-coa(4-) > branched-chain fatty acyl-coa(4-) > methyl-branched fatty acyl-coa(4-) > 4-methylpentanoyl-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-) > fatty acyl-coa(4-) > branched-chain fatty acyl-coa(4-) > methyl-branched fatty acyl-coa(4-) > 4-methylpentanoyl-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-) > fatty acyl-coa(4-) > branched-chain fatty acyl-coa(4-) > methyl-branched fatty acyl-coa(4-) > 4-methylpentanoyl-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-) > fatty acyl-coa(4-) > branched-chain fatty acyl-coa(4-) > methyl-branched fatty acyl-coa(4-) > 4-methylpentanoyl-coa(4-)

Preferred term

4-methylpentanoyl-coa(4-)  

Type

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

Broader concept

charge

  • -4

formula

  • C27H42N7O17P3S

has_role

inchi

  • InChI=1S/C27H46N7O17P3S/c1-15(2)5-6-18(36)55-10-9-29-17(35)7-8-30-25(39)22(38)27(3,4)12-48-54(45,46)51-53(43,44)47-11-16-21(50-52(40,41)42)20(37)26(49-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,37-38H,5-12H2,1-4H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/t16-,20-,21-,22+,26-/m1/s1

inchikey

  • GESPQCUXDWNNGU-HDRQGHTBSA-J

is_conjugate_base_of

mass

  • 861.648

monoisotopicmass

  • 861.15927

smiles

  • [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)CCC(C)C)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O

subset

  • 3_STAR

synonym RELATED

  • 4-methylpentanoyl-CoA
  • isocaproyl-CoA

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:131445

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