CHEBI:120011 - LSM-31454

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-31454
ChEBI ID CHEBI:120011
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C11H16N5
Net Charge +1
Average Mass 218.279
Monoisotopic Mass 218.14002
InChI InChI=1S/C11H15N5/c1-8-2-4-16(5-3-8)11-9-10(13-6-12-9)14-7-15-11/h6-8H,2-5H2,1H3,(H,12,13,14,15)/p+1
InChIKey OUNRAWGIKYOXGG-UHFFFAOYSA-O
SMILES CC1CCN(CC1)C2=[NH+]C=NC3=C2NC=N3
ChEBI Ontology
Outgoing LSM-31454 (CHEBI:120011) is a thiopurine (CHEBI:35666)
Manual Xref Database
LSM-31454 LINCS
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