Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: N(6)-(N-(6-Aminohexyl)carbamoylmethyl)-coenzyme A
RN: 71974-85-1
InChIKey: PTXIBVQMIJSEJB-CECATXLMSA-N

Molecular Weight

  • 923.764
 
* 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

  • N(6)-(N-(6-Aminohexyl)carbamoylmethyl)-coenzyme A

Synonym

  • N(6)-(N-(6-Aminohexyl)carbamoylmethyl)-coa

Systematic Name

  • Coenzyme A, N-(2-((6-aminohexyl)amino)-2-oxoethyl)-

Registry Numbers

CAS Registry Number

  • 71974-85-1

System Generated Number

  • 0071974851

Structure Descriptors

InChI

1S/C29H52N9O17P3S/c1-29(2,24(42)27(43)33-10-7-19(39)32-11-12-59)15-52-58(49,50)55-57(47,48)51-14-18-23(54-56(44,45)46)22(41)28(53-18)38-17-37-21-25(35-16-36-26(21)38)34-13-20(40)31-9-6-4-3-5-8-30/h16-18,22-24,28,41-42,59H,3-15,30H2,1-2H3,(H,31,40)(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H,34,35,36)(H2,44,45,46)/t18-,22-,23-,24+,28-/m1/s1

InChIKey

PTXIBVQMIJSEJB-CECATXLMSA-N

Smiles

OP(O[C@@H]1[C@H](O[C@H]([C@@H]1O)n1cnc2c(NCC(=O)NCCCCCCN)ncnc12)CO[P@@](=O)(O)O[P@@](=O)(O)OCC(C)(C)[C@H](C(NCCC(NCCS)=O)=O)O)(O)=O