IMPPAT Phytochemical information: 
Palmitic acid
Palmitic acid
Summary

SMILES: CCCCCCCCCCCCCCCC(=O)O
InChI: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKey: IPCSVZSSVZVIGE-UHFFFAOYSA-N
DeepSMILES: CCCCCCCCCCCCCCCC=O)O
Functional groups: CC(=O)O
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like molecules
ClassyFire Class: Fatty Acyls
ClassyFire Subclass: Fatty acids and conjugates
NP Classifier Biosynthetic pathway: Fatty acids
NP Classifier Superclass: Fatty Acids and Conjugates
NP Classifier Class: Branched fatty acids|Unsaturated fatty acids
Synonymous chemical names:
palmitc acid, hexadecanoic, n-hexadecanoic acid, palmitic acid (hexadecanoic acid), palmitic acid, hexadecanoic acid, palmitic-acid, hexadecanoic acid (palmitic acid), hexadecanoic acid*, Palmitic Acid, hexadecanoic acid (palmitic), palmitic acid, hexadecanoic-acid, palmitic acids, hexadecanoicacid, n- hexadecanoic acid, palmitic, palmitic (hexadecanoic) acid, palmistic acid, Palmitic acid, palmitate, hexadecanoic (palmitic) acid
External chemical identifiers:
CID:CID_985; ChEMBL:CHEMBL82293; ChEBI:CHEBI:15756; ZINC:ZINC000006072466; FDASRS:2V16EO95H1; SureChEMBL:SCHEMBL6177; MolPort-001-780-241
Chemical structure download
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
Palmitic acid
Physicochemical properties
Property name Tool Property value
Molecular weight (g/mol) RDKit 256.43
Log P RDKit 5.55
Topological polar surface area (Å2) RDKit 37.3
Number of hydrogen bond acceptors RDKit 1
Number of hydrogen bond donors RDKit 1
Number of carbon atoms RDKit 16
Number of heavy atoms RDKit 18
Number of heteroatoms RDKit 2
Number of nitrogen atoms RDKit 0
Number of sulfur atoms RDKit 0
Number of chiral carbon atoms RDKit 0
Stereochemical complexity RDKit 0
Number of sp hybridized carbon atoms RDKit 0
Number of sp2 hybridized carbon atoms RDKit 1
Number of sp3 hybridized carbon atoms RDKit 15
Shape complexity RDKit 0.94
Number of rotatable bonds RDKit 14
Number of aliphatic carbocycles RDKit 0
Number of aliphatic heterocycles RDKit 0
Number of aliphatic rings RDKit 0
Number of aromatic carbocycles RDKit 0
Number of aromatic heterocycles RDKit 0
Number of aromatic rings RDKit 0
Total number of rings RDKit 0
Number of saturated carbocycles RDKit 0
Number of saturated heterocycles RDKit 0
Number of saturated rings RDKit 0
Number of Smallest Set of Smallest Rings (SSSR) RDKit 0
Palmitic acid
Drug-likeness properties
Property nameToolProperty value
Number of Lipinski’s rule of 5 violations RDKit 1
Lipinski’s rule of 5 filter RDKit Passed
Number of Ghose filter violations RDKit 0
Ghose filter RDKit Passed
Veber filter RDKit Bad
Pfizer 3/75 filter RDKit Bad
GSK 4/400 filter RDKit Bad
Weighted quantitative estimate of drug-likeness (QEDw) score RDKit 0.41349
Palmitic acid
ADME properties
Property nameToolProperty value
Bioavailability score SwissADME 0.85
Solubility class [ESOL] SwissADME Moderately soluble
Solubility class [Silicos-IT] SwissADME Moderately soluble
Blood Brain Barrier permeation SwissADME Yes
Gastrointestinal absorption SwissADME High
Log Kp (Skin permeation, cm/s) SwissADME -2.77
Number of PAINS structural alerts SwissADME 0
Number of Brenk structural alerts SwissADME 0
CYP1A2 inhibitor SwissADME Yes
CYP2C19 inhibitor SwissADME No
CYP2C9 inhibitor SwissADME Yes
CYP2D6 inhibitor SwissADME No
CYP3A4 inhibitor SwissADME No
P-glycoprotein substrate SwissADME No
Palmitic acid
Human target proteins
Protein identifierHGNC symbolCombined score from STITCH database
ENSP00000282018CYSLTR2900
ENSP00000282441YAP1900
ENSP00000282753GRM1900
ENSP00000372750CHRM5900
ENSP00000370938CDK8900
ENSP00000269305TP53823
ENSP00000253792ACLY837
ENSP00000252669ACSBG2912
ENSP00000252595SLC27A1940
ENSP00000270202AKT1871
ENSP00000277508PAEP959
ENSP00000281806MCHR2945
ENSP00000276914PLIN2914
ENSP00000276431TNFRSF10B800
ENSP00000276414GNRH1900
ENSP00000276198HTR2C980
ENSP00000274335PIK3R1900
ENSP00000277942NPFFR1945
ENSP00000281928MED13L900
ENSP00000252486APOE915
ENSP00000279230PLCB3900
ENSP00000273430AGTR1945
ENSP00000272644GPR17900
ENSP00000272190REN820
ENSP00000271331PROK1900
ENSP00000281455ACSL1944
ENSP00000274024FABP2878
ENSP00000377836GPC3900
ENSP00000256010NTS900
ENSP00000376609GRK5900
ENSP00000267549GPR65945
ENSP00000255380CHRM3900
ENSP00000258743IL6848
ENSP00000258648MED4900
ENSP00000387662GCG988
ENSP00000387286RAB1A726
ENSP00000386331MYO7A900
ENSP00000258400HTR2B945
ENSP00000258042NMBR945
ENSP00000257572HRK800
ENSP00000267842SLC27A2923
ENSP00000257497ANXA1900
ENSP00000384665LPAR2945
ENSP00000384273RELA700
ENSP00000384018NCOR2900
ENSP00000383558GCGR927
ENSP00000381105NPS900
ENSP00000380888MED13900
ENSP00000256637SORT1700
ENSP00000256379MED6900
ENSP00000256104FABP4985
ENSP00000255764MED10900
ENSP00000256857GRP900
ENSP00000377686MED24900
ENSP00000268125RLBP1900
ENSP00000258873ACSBG1912
ENSP00000374357ARNTL900
ENSP00000374265GPX2817
ENSP00000373477GPX3818
ENSP00000268712NCOR1900
ENSP00000268711MED9900
ENSP00000256103PMP2958
ENSP00000262188SMARCD3900
ENSP00000261693SCARB1725
ENSP00000261523RORA900
ENSP00000261439TBC1D1700
ENSP00000268296ITGAX839
ENSP00000392398GPX5733
ENSP00000388825MLN900
ENSP00000387699CREB1816
ENSP00000378089NMB900
ENSP00000379701HNF4G958
ENSP00000254351SDC1900
ENSP00000260402PLCB2900
ENSP00000260129TGS1900
ENSP00000260010TLR2869
ENSP00000259938CLPS900
ENSP00000259407BAAT800
ENSP00000389338MAPK9917
ENSP00000471397800
ENSP00000417401HELZ2900
ENSP00000455307CHD9900
ENSP00000359380SCD912
ENSP00000359532NTSR1945
ENSP00000359643LPAR3945
ENSP00000359793PTGFR945
ENSP00000359864GPC4900
ENSP00000359899HCRTR2945
ENSP00000360317CYP2C8958
ENSP00000251871MED17900
ENSP00000360538FFAR4952
ENSP00000360541CPT2995
ENSP00000360683PTPN1822
ENSP00000360687PTGDS800
ENSP00000360762ANKRD1900
ENSP00000361021PTEN818
ENSP00000361066NCOA3900
ENSP00000361141OPN4945
ENSP00000361668EDN2900
ENSP00000394863PPT1986
ENSP00000361818SDC4900
ENSP00000393333TBXA2R945
ENSP00000262958GNA15900
ENSP00000356792XCL1900
ENSP00000356793XCL2900
ENSP00000356919ATF6845
ENSP00000356954CTGF979
ENSP00000356969APOA2900
ENSP00000357047MED23900
ENSP00000357153CD1D795
ENSP00000357362THBS3705
ENSP00000357591TRAPPC3L701
ENSP00000357907CDK19900
ENSP00000358223PNLIP914
ENSP00000358323TXNIP822
ENSP00000358414HMGCS2908
ENSP00000358719ME1900
ENSP00000262340RPE65900
ENSP00000262367CREBBP909
ENSP00000262735PPARA990
ENSP00000392495TRAPPC2795
ENSP00000362261TRAPPC3992
ENSP00000362353GLP1R873
ENSP00000362398900
ENSP00000367959HTR2A974
ENSP00000368678AGRN900
ENSP00000368683EDN1900
ENSP00000368766ADRA1D945
ENSP00000369050CYP1A1900
ENSP00000369134PDHA1819
ENSP00000369643GRPR945
ENSP00000369647AVP900
ENSP00000369960ADRA1A945
ENSP00000370421PDX1824
ENSP00000396620NFYC900
ENSP00000398698TNF949
ENSP00000399968NCOA2900
ENSP00000405574TBL1XR1900
ENSP00000407375GPX1841
ENSP00000409612ACADM927
ENSP00000420194CASR900
ENSP00000367869913
ENSP00000367462OLAH838
ENSP00000367453ACBD7824
ENSP00000367408CASK800
ENSP00000362401CYSLTR1900
ENSP00000362403TACR2900
ENSP00000362810HCRTR1945
ENSP00000263025MAPK3863
ENSP00000362817FABP3830
ENSP00000362948MED18900
ENSP00000363089TLR4876
ENSP00000363193MED12900
ENSP00000356438PTGS2962
ENSP00000363397UGCG823
ENSP00000363852SLC44A1800
ENSP00000363868ABCA1982
ENSP00000365807GNA14900
ENSP00000366061NMS900
ENSP00000366246GPC6900
ENSP00000366267GPC5900
ENSP00000366416EDNRB945
ENSP00000367086ACOT7908
ENSP00000363827HSPG2900
ENSP00000468991MTRNR2L12900
ENSP00000356430RGS18900
ENSP00000355996G0S2900
ENSP00000264867PPARGC1A930
ENSP00000264218NMU900
ENSP00000264167AGPS908
ENSP00000264039GPC1900
ENSP00000263967PIK3CA917
ENSP00000263816LRP2900
ENSP00000263390MED26900
ENSP00000263341IL1B822
ENSP00000263317NOX4800
ENSP00000263253EP300907
ENSP00000263205MED15900
ENSP00000377948QRFPR945
ENSP00000338185PLCB1900
ENSP00000338283NPAS2900
ENSP00000339299TRIO900
ENSP00000339527FOXO3833
ENSP00000339730THBS4705
ENSP00000419692RXRA900
ENSP00000339787ACSL4920
ENSP00000265023KNG1900
ENSP00000428982CCNC900
ENSP00000454071LDLR911
ENSP00000452780B2M795
ENSP00000450399DNM1L786
ENSP00000449751FKBP11800
ENSP00000444052CES4A907
ENSP00000442778TRAPPC2P1704
ENSP00000440698DBI821
ENSP00000436005TRAPPC4800
ENSP00000434516TXNRD1900
ENSP00000434045GPR68900
ENSP00000433290LTB4R2945
ENSP00000267017NPFF900
ENSP00000266659GLIPR1900
ENSP00000265723ABCB4912
ENSP00000265641CPT1A996
ENSP00000265350MED20900
ENSP00000265164CASP6800
ENSP00000428864CES5A907
ENSP00000340191FPR2900
ENSP00000340526UTS2B900
ENSP00000341044ACACB769
ENSP00000352839NPSR1945
ENSP00000352926TEAD4900
ENSP00000353427NR4A1818
ENSP00000353483MAPK8968
ENSP00000353622SIN3A900
ENSP00000353720CES1980
ENSP00000353847WWTR1900
ENSP00000354476SREBF2915
ENSP00000354558MTOR828
ENSP00000354569945
ENSP00000354581GPX6816
ENSP00000354588TEAD1900
ENSP00000354608PPT2958
ENSP00000354677GPX7786
ENSP00000355607GNPAT907
ENSP00000355627AGT907
ENSP00000355629COG2825
ENSP00000351894NCOA6900
ENSP00000351885PPP2R4800
ENSP00000351755LPAR1945
ENSP00000350425APOA4900
ENSP00000342343MED22900
ENSP00000342385PTGES800
ENSP00000344353LPAR6900
ENSP00000344456CTNNB1800
ENSP00000344468SDC3900
ENSP00000344789ACACA991
ENSP00000345487QRFP900
ENSP00000345702NFYA900
ENSP00000356162KISS1900
ENSP00000345772TEAD3900
ENSP00000346768UGT1A9900
ENSP00000346874FAR1907
ENSP00000348069SREBF1894
ENSP00000348429ACSL5939
ENSP00000348918SAA1964
ENSP00000350005GIP912
ENSP00000350012ACSL3922
ENSP00000350378GOLGA7718
ENSP00000346103GPX4818
ENSP00000264896SCARB2727
ENSP00000240055NFYB912
ENSP00000255262NMUR2945
ENSP00000322229FADS1920
ENSP00000321326F2R900
ENSP00000321106TAC1900
ENSP00000320940NCOA1900
ENSP00000320709ADIPOQ858
ENSP00000320043LYPLA1922
ENSP00000319744GPR4900
ENSP00000317842CES2907
ENSP00000316990TRAPPC5787
ENSP00000316476DEGS1818
ENSP00000316203SEC14L2958
ENSP00000315011EDNRA945
ENSP00000314343MED29900
ENSP00000312649PPARGC1B917
ENSP00000312286PLA2G1B826
ENSP00000338018HIF1A900
ENSP00000337459NOS1848
ENSP00000250971INS860
ENSP00000249016MCHR1945
ENSP00000248076F2RL3900
ENSP00000246553FFAR1919
ENSP00000246549FFAR2907
ENSP00000245983GNRH2900
ENSP00000322706HMGCS1909
ENSP00000245451BMP4800
ENSP00000322909FHL2911
ENSP00000323516UTS2R945
ENSP00000308165CD36984
ENSP00000308741CLOCK900
ENSP00000334105PLCB4900
ENSP00000333194RGS19909
ENSP00000332225PMCH900
ENSP00000331358GAST900
ENSP00000330442PLB1900
ENSP00000330289TRAPPC6B800
ENSP00000329623BCL2824
ENSP00000329357SP1900
ENSP00000328818GPR132907
ENSP00000328230FFAR3900
ENSP00000327875LPAR5900
ENSP00000327315TIAM2900
ENSP00000327251NOS2900
ENSP00000326767MED25900
ENSP00000325690CARM1900
ENSP00000325612MED16900
ENSP00000324693GRHL1900
ENSP00000309493GPRC6A900
ENSP00000324270OXTR945
ENSP00000323720MED14900
ENSP00000323568SLC2A2829
ENSP00000323071ACOT4900
ENSP00000243077LRP1900
ENSP00000241256GHSR945
ENSP00000240874KALRN900
ENSP00000006275TRAPPC6A800
ENSP00000054668UTS2900
ENSP00000078429GNA11900
ENSP00000171757P2RY10900
ENSP00000182377FAR2907
ENSP00000212015SIRT1860
ENSP00000215832MAPK1846
ENSP00000216037XBP1851
ENSP00000216629BDKRB1945
ENSP00000217233TRIB3925
ENSP00000217270PROKR2945
ENSP00000217386OXT900
ENSP00000217455ACOT8913
ENSP00000312029UCP2772
ENSP00000217964TBL1X900
ENSP00000311224ACOT1900
ENSP00000311095CYP4A11909
ENSP00000310701TEAD2900
ENSP00000310405XCR1900
ENSP00000310305P2RY2900
ENSP00000310226RAB1B726
ENSP00000309818TRHR945
ENSP00000309771P2RY6900
ENSP00000312189CPT1B856
ENSP00000312262ADRBK1900
ENSP00000336790ATF4830
ENSP00000337128EDN3900
ENSP00000380247HRH1900
ENSP00000239938EGR1800
ENSP00000238651ACOT2915
ENSP00000236850APOA1912
ENSP00000337340MED19900
ENSP00000235382RGS2900
ENSP00000234371KISS1R945
ENSP00000233242APOB986
ENSP00000233057EIF2AK2784
ENSP00000232219RBP1900
ENSP00000232217RBP2900
ENSP00000308024PCSK1900
ENSP00000229794MAPK14902
ENSP00000227665APOA5900
ENSP00000226413GNRHR945
ENSP00000225831CCL2851
ENSP00000225728MED31917
ENSP00000225577RPS6KB1823
ENSP00000223190NRF1911
ENSP00000222271COMP795
ENSP00000222002SULT2A1900
ENSP00000220584FDFT1912
ENSP00000218721MLNR945
ENSP00000337224LRAT900
ENSP00000227667APOC3907
ENSP00000307822NPFFR2945
ENSP00000324648CYP2B6800
ENSP00000307713BDKRB2900
ENSP00000296271RHO974
ENSP00000296641F2RL2900
ENSP00000296677F2RL1900
ENSP00000296861TNFRSF21900
ENSP00000296869ACSL6927
ENSP00000297258FABP5825
ENSP00000297347MED30900
ENSP00000307786CYCS830
ENSP00000297494NOS3987
ENSP00000298229INPPL1817
ENSP00000299178AVPR1A945
ENSP00000299663CLEC4E800
ENSP00000300056PEX11A900
ENSP00000300108TAC3900
ENSP00000300651MED1900
ENSP00000301046LALBA800
ENSP00000301455ANGPTL4908
ENSP00000295897ALB889
ENSP00000301645CYP7A1900
ENSP00000295834FABP1982
ENSP00000295589CCKAR945
ENSP00000335657CCK900
ENSP00000335560900
ENSP00000335544CCKBR945
ENSP00000334448GNG2900
ENSP00000282892MED21900
ENSP00000284981APP907
ENSP00000286317MED7900
ENSP00000286548GNAQ900
ENSP00000287820PPARG932
ENSP00000287936HMGCR911
ENSP00000290663MED8900
ENSP00000292035MED27900
ENSP00000292377GPC2900
ENSP00000292513PTGER1945
ENSP00000292596LTC4S800
ENSP00000293330HCRT900
ENSP00000293777MED11900
ENSP00000295619PROK2900
ENSP00000301974PTAFR900
ENSP00000309259ALAS1908
ENSP00000303686NTSR2945
ENSP00000306512IL8847
ENSP00000306662ADRA1B945
ENSP00000306490CHRM1900
ENSP00000306138GRM5900
ENSP00000305877NMUR1945
ENSP00000304895IRS1898
ENSP00000307445LTB4R945
ENSP00000304767P2RY1900
ENSP00000304592FASN959
ENSP00000307046SDC2900
ENSP00000303522TACR1900
ENSP00000303452TRH913
ENSP00000303325TACR3900
ENSP00000303192RGL1900
ENSP00000302967HDAC3900
ENSP00000302783TRAPPC1795
ENSP00000302665IGF1812
ENSP00000303634LRP8900
ENSP00000303775PROKR1945
The human target proteins were predicted using STITCH, a database of Chemical-Protein interaction networks.