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Concept information

Preferred term

(S) اتیل مالونیل CoA(5)  

Type

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

charge

  • -5

formula

  • C26H37N7O19P3S

inchi

  • InChI=1S/C26H42N7O19P3S/c1-4-13(24(38)39)25(40)56-8-7-28-15(34)5-6-29-22(37)19(36)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-18(51-53(41,42)43)17(35)23(50-14)33-12-32-16-20(27)30-11-31-21(16)33/h11-14,17-19,23,35-36H,4-10H2,1-3H3,(H,28,34)(H,29,37)(H,38,39)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/p-5/t13-,14+,17+,18+,19-,23+/m0/s1

inchikey

  • VUGZQVCBBBEZQE-UQCJFRAESA-I

is_conjugate_base_of

mass

  • 876.59400

monoisotopicmass

  • 876.11052

smiles

  • CC[C@@H](C([O-])=O)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 EXACT

  • 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2S)-2-carboxylatobutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
  • (S)-ethylmalonyl-CoA(5-)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:60909

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