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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H28N6O15P2S
Molecular Weight 662.459
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADP-RIBOSYLCYSTEINE

SMILES

N[C@@H](CS[C@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=NC4=C3N=CN=C4N)[C@@H](O)[C@H]1O)C(O)=O

InChI

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

HIDE SMILES / InChI

Molecular Formula C18H28N6O15P2S
Molecular Weight 662.459
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:22:24 GMT 2023
Edited
by admin
on Sat Dec 16 13:22:24 GMT 2023
Record UNII
TES2NDN50T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ADP-RIBOSYLCYSTEINE
Common Name English
Code System Code Type Description
FDA UNII
TES2NDN50T
Created by admin on Sat Dec 16 13:22:24 GMT 2023 , Edited by admin on Sat Dec 16 13:22:24 GMT 2023
PRIMARY
PUBCHEM
124081765
Created by admin on Sat Dec 16 13:22:24 GMT 2023 , Edited by admin on Sat Dec 16 13:22:24 GMT 2023
PRIMARY