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Substance Name: 2-Hydroxyglutaryl-1-coenzyme A
RN: 111769-66-5
InChIKey: ITRSBJZNLOYNNR-WZZMXTMRSA-N

Molecular Formula

  • C26-H42-N7-O20-P3-S

Molecular Weight

  • 897.6348
 
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Names and Synonyms

Name of Substance

  • 2-Hydroxyglutaryl-1-coenzyme A

Synonym

  • 2-Hydroxyglutaryl-1-coa

Systematic Name

  • Coenzyme A, S-(5-hydrogen 2-hydroxypentanedioate), (R)-

Registry Numbers

CAS Registry Number

  • 111769-66-5

System Generated Number

  • 0111769665

Structure Descriptors

InChI

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

InChIKey

ITRSBJZNLOYNNR-WZZMXTMRSA-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)[C@@H](CCC(=O)O)O)O