4398

Source:http://linkedlifedata.com/resource/chembl/compound/4398

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:4398_LINOLEATE_TRADE_NAME, synonym:4398_LINOLEIC ACID_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
chemicalCompound:standardIn...	OYHQOLUKZRVURQ-HZJYTTRNSA-N
chemicalCompound:canonicalS...	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O
chemicalCompound:molecularF...	C18H32O2
chemicalCompound:moleculeId	4398
chemicalCompound:mwFreebase	280.445
chemicalCompound:alogp	6.416
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	37.29
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.777
chemicalCompound:acdLogP	7.017
chemicalCompound:acdLogD	4.424
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	280.445
chemicalCompound:chemblId	CHEMBL267476
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:104398
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	LINOLEIC ACID
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:17351
chemicalCompound:activity	activity:805540, activity:866780, activity:1124806, activity:1139877, activity:1139878, activity:1442693, activity:1442694, activity:1442695, activity:1883920, activity:1883924, activity:2127935, activity:2127939, activity:2127945, activity:2127949, activity:2127957, activity:2127959, activity:2127960, activity:2127961, activity:2127963, activity:2150478, activity:2193515, activity:2193531, activity:2193534, activity:2324046, activity:2324050, activity:2324062, activity:2324076, activity:2324086, activity:2324476, activity:2325113, activity:2325119, activity:2325134, activity:2506579, activity:2506597, activity:2506606, activity:2506611, activity:2506612, activity:2506613, activity:2539851, activity:2539862, activity:2539869, activity:2554617, activity:2554618, activity:2554619, activity:2554620, activity:2554621, activity:2554622, activity:2554623, activity:2554624, activity:2554625, activity:2554626, activity:2554627, activity:2588729, activity:2666398, activity:2677225, activity:2677226, activity:2677231, activity:2677232, activity:2677233, activity:2677239, activity:2677242, activity:2677243, activity:3066535