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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H6N4O3
Molecular Weight 182.1371
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-METHYLURIC ACID

SMILES

Cn1c2c(nc(nc2O)O)nc1O

InChI

InChIKey=YHNNPKUFPWLTOP-UHFFFAOYSA-N
InChI=1S/C6H6N4O3/c1-10-2-3(8-6(10)13)7-5(12)9-4(2)11/h1H3,(H3,7,8,9,11,12,13)

HIDE SMILES / InChI

Molecular Formula C6H6N4O3
Molecular Weight 182.1371
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Catabolism of caffeine in plants and microorganisms.
2004 May 1
Substance Class Chemical
Created
by admin
on Fri Jun 25 23:31:55 UTC 2021
Edited
by admin
on Fri Jun 25 23:31:55 UTC 2021
Record UNII
0040741VCN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-METHYLURIC ACID
Systematic Name English
7,9-DIHYDRO-7-METHYL-1H-PURINE-2,6,8(3H)-TRIONE
Systematic Name English
URIC ACID, 7-METHYL-
Systematic Name English
N7-METHYLURIC ACID
Systematic Name English
1H-PURINE-2,6,8(3H)-TRIONE, 7,9-DIHYDRO-7-METHYL-
Systematic Name English
7-MU
Common Name English
Code System Code Type Description
CAS
612-37-3
Created by admin on Fri Jun 25 23:31:55 UTC 2021 , Edited by admin on Fri Jun 25 23:31:55 UTC 2021
PRIMARY
EPA CompTox
612-37-3
Created by admin on Fri Jun 25 23:31:55 UTC 2021 , Edited by admin on Fri Jun 25 23:31:55 UTC 2021
PRIMARY
FDA UNII
0040741VCN
Created by admin on Fri Jun 25 23:31:55 UTC 2021 , Edited by admin on Fri Jun 25 23:31:55 UTC 2021
PRIMARY
ECHA (EC/EINECS)
210-307-3
Created by admin on Fri Jun 25 23:31:55 UTC 2021 , Edited by admin on Fri Jun 25 23:31:55 UTC 2021
PRIMARY
PUBCHEM
69160
Created by admin on Fri Jun 25 23:31:55 UTC 2021 , Edited by admin on Fri Jun 25 23:31:55 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
AMOUNT EXCRETED
MAJOR
PLASMA; URINE