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Substance Name: N-(2-(S-Coenzyme A)acetyl)spermidine
RN: 83889-68-3
InChIKey: CSVGELBXUMEGSQ-FUEUKBNZSA-N

Note

  • Inhibitor of histone acetyltransferase.

Molecular Weight

  • 952.805
 
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Names and Synonyms

Name of Substance

  • N-(2-(S-Coenzyme A)acetyl)spermidine

Synonyms

  • N-(2-(S-Coa)acetyl)spermidine
  • N-Coa-asp

Systematic Name

  • Coenzyme A, S-(2-((4-((3-aminopropyl)amino)butyl)amino)-2-oxoethyl)-

Registry Numbers

CAS Registry Number

  • 83889-68-3

System Generated Number

  • 0083889683

Structure Descriptors

InChI

1S/C30H55N10O17P3S/c1-30(2,25(44)28(45)36-11-6-20(41)35-12-13-61-15-21(42)34-10-4-3-8-33-9-5-7-31)16-54-60(51,52)57-59(49,50)53-14-19-24(56-58(46,47)48)23(43)29(55-19)40-18-39-22-26(32)37-17-38-27(22)40/h17-19,23-25,29,33,43-44H,3-16,31H2,1-2H3,(H,34,42)(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,32,37,38)(H2,46,47,48)/t19-,23-,24-,25+,29-/m1/s1

InChIKey

CSVGELBXUMEGSQ-FUEUKBNZSA-N

Smiles

C(C(NCCCCNCCCN)=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