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Substance Name: Pimeloyl-coenzyme A
RN: 18907-20-5
InChIKey: LYCRXMTYUZDUGA-UYRKPTJQSA-N

Molecular Formula

  • C28-H46-N7-O19-P3-S

Molecular Weight

  • 909.6894
 
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Names and Synonyms

Name of Substance

  • Pimeloyl-coenzyme A

Synonyms

  • Coenzyme A, pimeloyl-
  • Pimeloyl-coa

Systematic Name

  • Coenzyme A, S-(hydrogen heptanedioate)

Registry Numbers

CAS Registry Number

  • 18907-20-5

System Generated Number

  • 0018907205

Structure Descriptors

InChI

1S/C28H46N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h14-16,21-23,27,40-41H,3-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t16-,21-,22-,23+,27-/m1/s1

InChIKey

LYCRXMTYUZDUGA-UYRKPTJQSA-N

Smiles

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCC(=O)O)O