Feedback

theobromine

Properties
MNX_IDMNXM905
formulaC7H8N4O2
charge0
mass180.16418
referencechebi:28946
Image of MNXM905
InChIKeyYAPQBXQYLJRXSA-UHFFFAOYSA-N
InChIInChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
SMILESCn1cnc2n(C)c(=O)[nH]c(=O)c12

Occurences in reactions

#reac
Distinct reactions in my sandbox 0
Distinct generic reactions in MNXref13
Distinct compatimentalized reactions in models1

Similar chemical compounds in external resources
IdentifierDescription
keggC:C07480
sabiorkM:9585
Theobromine
3,7-Dimethylxanthine
envipath:...4c5240b3b5c4 Theobromine
seedM:cpd04653 Theobromine
3,7-Dimethylxanthine
3,7-dimethylxanthine
theobromine
metacycM:3-7-DIMETHYLXANTHINE theobromine
3,7-dimethylxanthine
chebi:28946 theobromine
3,7-Dimethylxanthine
3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
3,7-dimethylpurine-2,6-dione
3,7-dimethylxanthine
THEOBROMINE
Theobromin
Theobromine
hmdb:HMDB0002825 Theobromine
2,6-Dihydroxy-3,7-dimethyl-purine
3,7-Dimethyl-xanthine
3,7-Dimethylpurine-2,6-dione
3,7-Dimethylxanthine
3,7-dihydro-3,7-Dimethyl-1H-purine-2,6-dione
3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Diurobromine
Teobromin
Theobromin
theobromine
chebi:26939
chebi:39914
chebi:9521
hmdb:HMDB02825
keggC:M_C07480
seedM:M_cpd04653
secondary/obsolete/fantasy identifier