U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H14N5O7PS
Molecular Weight 379.2877
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-THIOGUANYLIC ACID

SMILES

C([C@]1([H])[C@]([H])([C@]([H])([C@]([H])(n2cnc3c2[nH]c(=N)nc3S)O1)O)O)OP(=O)(O)O

InChI

InChIKey=BPZXYEUJBFHASJ-UUOKFMHZSA-N
InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(24)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-21-23(18,19)20/h2-3,5-6,9,16-17H,1H2,(H2,18,19,20)(H3,11,13,14,24)/t3-,5-,6-,9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H14N5O7PS
Molecular Weight 379.2877
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 15:29:53 UTC 2021
Edited
by admin
on Sat Jun 26 15:29:53 UTC 2021
Record UNII
7Y3025NR1U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-THIOGUANYLIC ACID
Common Name English
6-THIOGUANOSINE MONOPHOSPHATE
Common Name English
6-THIOGUANOSINE-5'-PHOSPHATE
Common Name English
NSC-408090
Code English
Code System Code Type Description
PUBCHEM
3034646
Created by admin on Sat Jun 26 15:29:53 UTC 2021 , Edited by admin on Sat Jun 26 15:29:53 UTC 2021
PRIMARY
FDA UNII
7Y3025NR1U
Created by admin on Sat Jun 26 15:29:53 UTC 2021 , Edited by admin on Sat Jun 26 15:29:53 UTC 2021
PRIMARY
CAS
15867-02-4
Created by admin on Sat Jun 26 15:29:53 UTC 2021 , Edited by admin on Sat Jun 26 15:29:53 UTC 2021
PRIMARY
EPA CompTox
15867-02-4
Created by admin on Sat Jun 26 15:29:53 UTC 2021 , Edited by admin on Sat Jun 26 15:29:53 UTC 2021
PRIMARY
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
METABOLITE ACTIVE -> PRODRUG