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Substance Name: ADP-Ribosylcysteine
RN: 99156-05-5
InChIKey: CUNAFAQOOPCELJ-MVCHEGDFSA-N

Molecular Formula

  • C18-H28-N6-O15-P2-S

Molecular Weight

  • 662.4602
 
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Names and Synonyms

Name of Substance

  • ADP-Ribosylcysteine

Synonyms

  • ADP-Ribose-cys
  • Cysteine(ADP-ribose)

Systematic Name

  • L-Cysteine, 5-O-((5'-adenylyloxy)hydroxyphosphinyl)-D-ribofuranosyl ester

Registry Numbers

CAS Registry Number

  • 99156-05-5

System Generated Number

  • 0099156055

Structure Descriptors

InChI

1S/C18H28N6O15P2S/c19-6(3-42)17(29)38-18-13(28)11(26)8(37-18)2-35-41(33,39-40(30,31)32)34-1-7-10(25)12(27)16(36-7)24-5-23-9-14(20)21-4-22-15(9)24/h4-8,10-13,16,18,25-28,42H,1-3,19H2,(H2,20,21,22)(H2,30,31,32)/t6-,7+,8+,10+,11+,12+,13+,16+,18?,41?/m0/s1

InChIKey

CUNAFAQOOPCELJ-MVCHEGDFSA-N

Smiles

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(OC[C@@H]4[C@H]([C@H](C(O4)OC(=O)[C@H](CS)N)O)O)OP(=O)(O)O)O)O)N