Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Succinylbenzoyl-coenzyme A
RN: 72471-59-1
InChIKey: AVOVYFCDODUXLY-UHFFFAOYSA-N

Molecular Weight

  • 971.717
 
* 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

  • 2-Succinylbenzoyl-coenzyme A

Synonyms

  • 2-Succinylbenzoyl-coa
  • Coenzyme A, 2-succinylbenzoic acid-
  • ortho-Succinylbenzoyl-coa

Systematic Name

  • Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate)

Registry Numbers

CAS Registry Number

  • 72471-59-1

System Generated Number

  • 0072471591

Structure Descriptors

InChI

1S/C32H44N7O20P3S/c1-32(2,26(45)29(46)35-10-9-21(41)34-11-12-63-31(47)18-6-4-3-5-17(18)19(40)7-8-22(42)43)14-56-62(53,54)59-61(51,52)55-13-20-25(58-60(48,49)50)24(44)30(57-20)39-16-38-23-27(33)36-15-37-28(23)39/h3-6,15-16,20,24-26,30,44-45H,7-14H2,1-2H3,(H,34,41)(H,35,46)(H,42,43)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)

InChIKey

AVOVYFCDODUXLY-UHFFFAOYSA-N

Smiles

C(c1c(C(CCC(=O)O)=O)cccc1)(=O)SCCNC(CCNC([C@@H](C(CO[P@@](O[P@@](OC[C@@H]1O[C@@H](n2cnc3c(ncnc23)N)[C@@H](O)[C@@H]1OP(O)(O)=O)(=O)O)(=O)O)(C)C)O)=O)=O