The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/dinto_DB03541 http://purl.obolibrary.org/obo/dinto_DB03541
Preferred Name	10-propargyl-5,8-dideazafolic acid
Synonyms	C24H23N5O6 (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)formamido]pentanedioic acid
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	10-propargyl-5,8-dideazafolic acid
label	10-propargyl-5,8-dideazafolic acid
type	http://www.w3.org/2002/07/owl#Class
InChIKey	InChIKey=LTKHPMDRMUCUEB-IBGZPJMESA-N
Synonym	C24H23N5O6 (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)formamido]pentanedioic acid
xref	BindingDB:18771 ChemSpider:391617 PubChem Compound:443388 PDB:CB3 PubChem Substance:46508002
prefixIRI	obo2:dinto_DB03541
related with	http://purl.obolibrary.org/obo/dinto_0117 http://purl.obolibrary.org/obo/dinto_3954 http://purl.obolibrary.org/obo/dinto_1622 http://purl.obolibrary.org/obo/dinto_2253 http://purl.obolibrary.org/obo/dinto_3510 http://purl.obolibrary.org/obo/dinto_2131 See more See less
SMILES	[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)N(CC#C)CC1=CC=C2NC(N)=NC(=O)C2=C1)C(O)=O
InChI	InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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