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Substance Name: 3-Hydroxyglutaryl-coenzyme A
RN: 35192-10-0
InChIKey: IIYZSYKTQRIPRG-MJBWAWCGSA-N

Molecular Formula

  • C26-H42-N7-O20-P3-S

Molecular Weight

  • 897.6348
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxyglutaryl-coenzyme A

Synonyms

  • 3-Hydroxyglutaryl-coa
  • Coenzyme A, 3-hydroxyglutaryl-

Systematic Name

  • Coenzyme A, S-(hydrogen 3-hydroxypentanedioate)

Registry Numbers

CAS Registry Number

  • 35192-10-0

System Generated Number

  • 0035192100

Structure Descriptors

InChI

1S/C26H42N7O20P3S/c1-26(2,21(40)24(41)29-4-3-15(35)28-5-6-57-17(38)8-13(34)7-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-20(52-54(42,43)44)19(39)25(51-14)33-12-32-18-22(27)30-11-31-23(18)33/h11-14,19-21,25,34,39-40H,3-10H2,1-2H3,(H,28,35)(H,29,41)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13?,14-,19-,20-,21+,25-/m1/s1

InChIKey

IIYZSYKTQRIPRG-MJBWAWCGSA-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)CC(CC(=O)O)O)O