| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 16 | No |
Popular Name: myristic acid myristic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 124511-74-6 , 250159-48-9 , 544-63-8 , [544-63-8]
250159-48-9; D06294; Miripla (TN); Miriplatin hydrate (JAN)
544-63-8; C06424; Myristic acid; Tetradecanoate; Tetradecanoic acid
CHEBI:44232; CHEBI:26897; CHEBI:278516; CHEBI:73168; CHEBI:7056
EINECS 240-369-7; LS-914; Tetradecanoic acid, zinc salt; ZINC MYRISTATE; Zinc dimyristate
| 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) | 6.05 | 10.51 | -44.91 | 0 | 2 | -1 | 40 | 227.368 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.72e-03 g/l | DrugBank-experimental |
| BP [°C] | 326 | Acros Organics |
| Boiling_Point | 326? | Alfa-Aesar |
| Boiling_Point | 326° | Alfa-Aesar |
| Mp [°C] | 50 - 57 | Acros Organics |
| M.P | 52-54 °C | Indofine |
| Melting_Point | 53-56? | Alfa-Aesar |
| Melting_Point | 53-56° | Alfa-Aesar |
| UniProt Database Links | A1H2_LOXRE; ACO11_CHORO; APOM_HUMAN; APOM_MOUSE; APOM_PIG; APOM_PONAB; APOM_RAT; CP4V2_HUMAN; CYPC_BACSU; DHRS4_BOVIN; DHRS4_HUMAN; DHRS4_MOUSE; DHRS4_PIG; DHRS4_PONAB; DHRS4_RABIT; DHRS4_RAT; ELO1_YEAST; ENPP6_BOVIN; ENPP6_HUMAN; ENPP6_MOUSE; ENPP6_PIG | ChEBI |
| UniProt Database Links | ABC3B_HUMAN; ACSL3_HUMAN; ACSL3_MOUSE; ACSL3_PONAB; ACSL3_RAT; ADA17_HUMAN; ADA17_MOUSE; ADA17_RAT; APR_CANFA; APR_HUMAN; APR_MOUSE; APR_RAT; AREG_HUMAN; CCL18_HUMAN; CCL1_HUMAN; CCL20_HUMAN; CDO1_HUMAN; COGS_HYPLI; CP4AB_HUMAN; CP4V2_HUMAN; CP4V2_MOUSE | ChEBI |
| Target | Catalase(P04040) | Herbal Ingredients Targets |
| Patent Database Links | EP0947523; EP0962459; EP1236476; EP1375583; EP1516914; EP1557427; EP1576953; EP1597973; EP1598060; EP1640383; EP1676488; EP1698329; EP1712541; EP1731150; EP1731602; EP1738765; EP1745791; EP1746141; EP1792612; EP1844789; EP1878435; EP1886660; EP1889609; EP | ChEBI |
| Patent Database Links | EP1787658; EP1815846; EP1829527; EP1829528; EP1983044; US2003162832; US2004010038; US2006135755; US2007184114; US2007189977; US2007189978; US2007190132; US2007196325; US2007196452; US2007196453; US2007196459; US2007253913; WO2006068990 | ChEBI |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| P phrase | P264: Wash face, hands and any exposed skin thoroughly after handling; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, | Acros Organics |
| 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 |
| R phrase | R38: Irritating to skin. | Acros Organics |
| Reactome Database Links | REACT_21408; REACT_23817 | ChEBI |
| 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 |
|---|---|---|---|---|---|
| TLR2-1-E | Toll-like Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5000 | 0.46 | Functional ≤ 10μM |
| Z80548-2-O | THP-1 (Acute Monocytic Leukemia Cells) (cluster #2 Of 5), Other | Other | 5000 | 0.46 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80548 | Z80548 | THP-1 (Acute Monocytic Leukemia Cells) | 5000 | 0.46 | Functional ≤ 10μM |
| TLR2_HUMAN | O60603 | Toll-like Receptor 2, Human | 5000 | 0.46 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Free fatty acid receptors | |
| Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1) | |
| Transport of fatty acids |
| Description | Species |
|---|---|
| Beta defensins | |
| MyD88:Mal cascade initiated on plasma membrane | |
| Toll Like Receptor TLR1:TLR2 Cascade | |
| Toll Like Receptor TLR6:TLR2 Cascade |
