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Chemistry, part 2

Content language

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Concept information

organic anion > organophosphate oxoanion > coenzyme a(4-)

Preferred term

coenzyme a(4-)  

Type

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

Broader concept

charge

  • -4

formula

  • C21H32N7O16P3S

has_role

inchi

  • InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/p-4/t11-,14-,15-,16+,20-/m1/s1

inchikey

  • RGJOEKWQDUBAIZ-IBOSZNHHSA-J

is_conjugate_base_of

mass

  • 763.50200

monoisotopicmass

  • 763.08610

smiles

  • CC(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)[C@@H](O)C(=O)NCCC(=O)NCCS

subset

  • 3_STAR

synonym EXACT

  • 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] diphosphate}

synonym RELATED

  • CoA

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:57287

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