CHEBI:6821

GPTKB entity

Statements (30)
Predicate Object
gptkbp:instanceOf gptkb:chemical_compound
gptkbp:charge 0
gptkbp:form C20H22N8O5
gptkbp:has_CAS_Registry_Number 59-05-2
gptkbp:hasInChIKey FZBXRVCASIPIDH-UHFFFAOYSA-N
gptkbp:hasRole gptkb:antibiotic
gptkb:enzyme
antiviral drug
immunotherapy
antineoplastic agent
antifungal agent
immunosuppressive agent
antipsoriatic drug
antirheumatic drug
teratogenic agent
gptkbp:hasSMILES COC1=CC=C(C=C1)C(=O)NCC2=CN=C(N=C2N)N
gptkbp:heldBy gptkb:carboxylic_acid
Ether
aromatic amine
pteridine derivative
https://www.w3.org/2000/01/rdf-schema#label CHEBI:6821
gptkbp:IUPACName (2S)-2-[[4-[(2,4-diamino-6-pteridinyl)methylmethylamino]benzoyl]amino]pentanedioic acid
gptkbp:mass 454.44
gptkbp:name gptkb:methotrexate
gptkbp:PubChem_CID gptkb:CHEBI:6821
gptkbp:synonym 4-amino-10-methylfolic acid
amethopterin
methotrexate sodium
gptkbp:bfsParent gptkb:basic_blue_9
gptkbp:bfsLayer 7