Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Heptadecan-2-onyl-dethio-coenzyme A
RN: 79250-89-8
InChIKey: BJLZRPSDTGRCMT-LTZQTJBYSA-N

Molecular Formula

  • C38-H68-N7-O17-P3.3Li

Molecular Weight

  • 996.7212
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Heptadecan-2-onyl-dethio-coenzyme A

Synonyms

  • Coenzyme A, heptadecan-2-onyl-dethio
  • Hdod-coa
  • Heptadecan-2-onyl-dethio-coa
  • Heptadecanonyldethio coa

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), 5'-(3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((4-oxononadecyl)amino)propyl)amino)butyl) ester, trilithium salt, (R)-

Registry Numbers

CAS Registry Number

  • 79250-89-8

System Generated Number

  • 0079250898

Molecular Formulas

Molecular Formula

  • C38-H68-N7-O17-P3.3Li

Molecular Formula Fragments

  • C38-H68-N7-O17-P3
  • COMPONENT
  • Li

Structure Descriptors

InChI

1S/C37H68N7O17P3.3Li/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(2)56-25-43-28(45)19-20-39-35(48)32(47)37(3,4)22-58-64(54,55)61-63(52,53)57-21-27-31(60-62(49,50)51)30(46)36(59-27)44-24-42-29-33(38)40-23-41-34(29)44;;;/h23-24,26-27,30-32,36,46-47H,5-22,25H2,1-4H3,(H,39,48)(H,43,45)(H,52,53)(H,54,55)(H2,38,40,41)(H2,49,50,51);;;/q;3*+1/t26?,27-,30-,31-,32+,36-;;;/m1.../s1

InChIKey

BJLZRPSDTGRCMT-LTZQTJBYSA-N

Smiles

[Li+].[Li+].[Li+].CCCCCCCCCCCCCCCC(C)OCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O)n2cnc3c(N)ncnc23