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Substance Name: Methylmalonyl-coenzyme A
RN: 1264-45-5
InChIKey: MZFOKIKEPGUZEN-FBMOWMAESA-N

Molecular Formula

  • C25-H40-N7-O19-P3-S

Molecular Weight

  • 867.609
 
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Names and Synonyms

Name of Substance

  • Methylmalonyl-coenzyme A

Synonyms

  • Coenzyme A, methylmalonyl-
  • Methylmalonyl coa

Systematic Name

  • Coenzyme A, S-(hydrogen methylpropanedioate)

Registry Numbers

CAS Registry Number

  • 1264-45-5

System Generated Number

  • 0001264455

Structure Descriptors

InChI

1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12?,13-,16-,17-,18+,22-/m1/s1

InChIKey

MZFOKIKEPGUZEN-FBMOWMAESA-N

Smiles

n1([C@H]2[C@@H]([C@H](OP(=O)(O)O)[C@H](O2)CO[P@@](O[P@@](OCC([C@H](C(=O)NCCC(=O)NCCSC([C@@H](C(=O)O)C)=O)O)(C)C)(=O)O)(=O)O)O)c2c(c(ncn2)N)nc1