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Substance Name: Methylenecyclopropyl acetyl-coa
RN: 56898-43-2
InChIKey: LRZLYYOBCYKACZ-YVOTYHKYSA-N

Note

  • Metabolite of hypoglycin.

Molecular Formula

  • C27-H42-N7-O17-P3-S

Molecular Weight

  • 861.649
 
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Names and Synonyms

Name of Substance

  • Methylenecyclopropyl acetyl-coa

Synonym

  • Methylenecyclopropyl acetyl-coenzyme A

Systematic Name

  • Coenzyme A, S-(2-methylenecyclopropaneacetate)

Registry Numbers

CAS Registry Number

  • 56898-43-2

System Generated Number

  • 0056898432

Structure Descriptors

InChI

1S/C27H42N7O17P3S/c1-14-8-15(14)9-18(36)55-7-6-29-17(35)4-5-30-25(39)22(38)27(2,3)11-48-54(45,46)51-53(43,44)47-10-16-21(50-52(40,41)42)20(37)26(49-16)34-13-33-19-23(28)31-12-32-24(19)34/h12-13,15-16,20-22,26,37-38H,1,4-11H2,2-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t15?,16-,20-,21-,22+,26?/m1/s1

InChIKey

LRZLYYOBCYKACZ-YVOTYHKYSA-N

Smiles

C1C([C@@H]1CC(SCCNC(CCNC([C@@H](C(CO[P@@](=O)(O)O[P@@](OC[C@@H]1[C@H]([C@H]([C@H](O1)[n@]1cnc2c1ncnc2N)O)OP(=O)(O)O)(O)=O)(C)C)O)=O)=O)=O)=C