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Substance Name: Acetonyldethio-coenzyme A
RN: 66442-95-3
InChIKey: LNZRNVKYLUERKW-AMPMWGSHSA-N

Molecular Formula

  • C24-H40-N7-O17-P3

Molecular Weight

  • 759.536
 
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Names and Synonyms

Name of Substance

  • Acetonyldethio-coenzyme A

Synonym

  • Acetonyldethio-coa

Systematic Names

  • Adenosine 5'-(trihydrogen diphosphate), mono(3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((4-oxopentyl)amino)propyl)amino)butyl) ester, 3'-(dihydrogen phosphate)
  • Adenosine 5'-(trihydrogen diphosphate), P'-(3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((4-oxopentyl)amino)propyl)amino)butyl) ester, 3'-(dihydrogen phosphate)

Registry Numbers

CAS Registry Number

  • 66442-95-3

System Generated Number

  • 0066442953

Structure Descriptors

InChI

1S/C24H40N7O15P3/c1-13(32)5-4-7-26-15(33)6-8-27-22(36)19(35)24(2,3)10-43-49(40,41)46-48(39)42-9-14-18(45-47(37)38)17(34)23(44-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-12,14,17-19,23,34-35,39,47H,4-10H2,1-3H3,(H,26,33)(H,27,36)(H,37,38)(H,40,41)(H2,25,28,29)/t14-,17-,18-,19+,23-,48?/m1/s1

InChIKey

LNZRNVKYLUERKW-AMPMWGSHSA-N

Smiles

CC(=O)CCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)O)n2cnc3c(N)ncnc23