| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 4th, 2006 | 18 | No |
Popular Name: palmitic acid palmitic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 408-35-5 , 57-10-3 , [49719-60-0]
57-10-3; D05341; Palmitic acid (NF)
57-10-3; Hexadecanoate (n-C16:0); hexadecanoate; hexadecanoic acid; palmitate; palmitic acid
Cetylic acid; Palmitate; n-Hexadecanoic acid; C16:0
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 7.06 | 2.36 | -44.91 | 0 | 2 | -1 | 40 | 255.422 | 14 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 215?/15mm | Alfa-Aesar |
| Boiling_Point | 215°/15mm | Alfa-Aesar |
| BP [°C] | 351.5 | Acros Organics |
| ALOGPS_SOLUBILITY | 4.07e-04 g/l | DrugBank-experimental |
| Mp [°C] | 59 - 63 | Acros Organics |
| Melting_Point | 60-62? | Alfa-Aesar |
| Melting_Point | 60-62° | Alfa-Aesar |
| M.P | 61-64 °C | Indofine |
| UniProt Database Links | ACO11_SPOLI; ACO15_HUMAN; ACO15_MOUSE; ACOT1_HUMAN; ACOT1_MOUSE; ACOT1_RAT; ACOT2_HUMAN; ACOT2_MOUSE; ACOT2_RAT; ACOT3_MOUSE; ACOT4_HUMAN; ACOT4_MOUSE; ACOT5_MOUSE; ACSL5_HUMAN; ADS3_ARATH; ANK1_MOUSE; APOM_HUMAN; APOM_MOUSE; APOM_PIG; APOM_PONAB; APOM_RA | ChEBI |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| Target | Involucrin(P07476)&Glutaminase liver isoform, mitochondrial(Q9UI32)&Caspase-3(P42574)&Ig delta chain C region(P01880)&Sodium-dependent noradrenaline transporter(P23975)&Transcription factor Sp1(P08047)&Ectonucleotide pyrophosphatase/phosphodiesterase fami | Herbal Ingredients Targets |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| R phrase | R36/38: Irritating to eyes and skin. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FABP4-2-E | Fatty Acid Binding Protein Adipocyte (cluster #2 Of 3), Eukaryotic | Eukaryotes | 930 | 0.47 | Binding ≤ 10μM |
| FABP5-2-E | Fatty Acid Binding Protein Epidermal (cluster #2 Of 2), Eukaryotic | Eukaryotes | 802 | 0.47 | Binding ≤ 10μM |
| FABPH-3-E | Fatty Acid Binding Protein Muscle (cluster #3 Of 3), Eukaryotic | Eukaryotes | 2600 | 0.43 | Binding ≤ 10μM |
| FABPI-2-E | Fatty Acid Binding Protein Intestinal (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1700 | 0.45 | Binding ≤ 10μM |
| TLR2-1-E | Toll-like Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5000 | 0.41 | Functional ≤ 10μM |
| Z80548-2-O | THP-1 (Acute Monocytic Leukemia Cells) (cluster #2 Of 5), Other | Other | 5000 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FABP4_HUMAN | P15090 | Fatty Acid Binding Protein Adipocyte, Human | 336 | 0.50 | Binding ≤ 1μM |
| FABP5_HUMAN | Q01469 | Fatty Acid Binding Protein Epidermal, Human | 802 | 0.47 | Binding ≤ 1μM |
| FABP4_HUMAN | P15090 | Fatty Acid Binding Protein Adipocyte, Human | 336 | 0.50 | Binding ≤ 10μM |
| FABP5_HUMAN | Q01469 | Fatty Acid Binding Protein Epidermal, Human | 1200 | 0.46 | Binding ≤ 10μM |
| FABPI_HUMAN | P12104 | Fatty Acid Binding Protein Intestinal, Human | 1700 | 0.45 | Binding ≤ 10μM |
| FABPH_HUMAN | P05413 | Fatty Acid Binding Protein Muscle, Human | 2600 | 0.43 | Binding ≤ 10μM |
| Z80548 | Z80548 | THP-1 (Acute Monocytic Leukemia Cells) | 5000 | 0.41 | Functional ≤ 10μM |
| TLR2_HUMAN | O60603 | Toll-like Receptor 2, Human | 5000 | 0.41 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Beta defensins | |
| Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis | |
| MyD88:Mal cascade initiated on plasma membrane | |
| Toll Like Receptor TLR1:TLR2 Cascade | |
| Toll Like Receptor TLR6:TLR2 Cascade | |
| Transcriptional regulation of white adipocyte differentiation |
No pre-computed analogs available. Try a structural similarity search.