NPs Basic Information

Name
Palmitic Acid
Molecular Formula C16H32O2
IUPAC Name*
hexadecanoic acid
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
Synonyms
palmitic acid; Hexadecanoic acid; 57-10-3; Cetylic acid; palmitate; n-Hexadecanoic acid; Hexadecylic acid; Hydrofol; n-Hexadecoic acid; 1-Pentadecanecarboxylic acid; Palmitinic acid; Pentadecanecarboxylic acid; hexadecanoate; hexaectylic acid; 1-Hexyldecanoic Acid; hexadecoic acid; Industrene 4516; Emersol 140; Emersol 143; Hystrene 8016; Hystrene 9016; Palmitinsaeure; Palmitic acid, pure; FEMA No. 2832; Palmitic acid 95%; Kortacid 1698; Loxiol EP 278; Palmitic acid (natural); Hydrofol Acid 1690; Prifac 2960; Pristerene 4934; Edenor C16; Lunac P 95KC; C16:0; Lunac P 95; Lunac P 98; Cetyl acid; HSDB 5001; AI3-01594; NSC 5030; Pristerene-4934; Palmitic acid (NF); Glycon P-45; CHEBI:15756; NSC5030; Prifac-2960; NSC-5030; Hexadecanoic acid (9CI); MFCD00002747; Palmitic acid (7CI,8CI); CHEMBL82293; CH3-[CH2]14-COOH; IMEX C 1498; 2V16EO95H1; n-hexadecoate; LMFA01010001; PA 900; 67701-02-4; FA 16:0; FA 1695; 1-hexyldecanoate; NCGC00164358-01; DSSTox_CID_1602; pentadecanecarboxylate; Hexadecanoic acid 10 microg/mL in Acetonitrile; DSSTox_RID_76229; DSSTox_GSID_21602; C16H32O2; PLM; palmic acid; Hexadecanoate (n-C16:0); CAS-57-10-3; CCRIS 5443; SR-01000944716; EINECS 200-312-9; Palmitic acid [USAN:NF]; BRN 0607489; palmitoate; Hexadecoate; Palmitinate; palmitic-acid; palmitoic acid; Hexadecanoicacid; Aethalic acid; UNII-2V16EO95H1; Hexadecanoic acid Palmitic acid; 2hmb; 2hnx; Palmitic acid_jeyam; Palmitic Acid, FCC; Kortacid 1695; Palmitic acid_RaGuSa; Univol U332; Prifrac 2960; Hexadecanoic acid anion; 3v2q; Palmitic acid, >=99%; bmse000590; Epitope ID:141181; EC 200-312-9; CETYL ACID [VANDF]; PALMITIC ACID [II]; PALMITIC ACID [MI]; SCHEMBL6177; PALMITIC ACID [DSC]; PALMITIC ACID [FCC]; PALMITIC ACID [FHFI]; PALMITIC ACID [HSDB]; PALMITIC ACID [INCI]; PALMITIC ACID [USAN]; 4-02-00-01157 (Beilstein Handbook Reference); FAT; WLN: QV15; P5585_SIGMA; PALMITIC ACID [VANDF]; PALMITIC ACID [MART.]; GTPL1055; QSPL 166; PALMITIC ACID [USP-RS]; PALMITIC ACID [WHO-DD]; (1(1)(3)C)hexadecanoic acid; DTXSID2021602; 1b56; HMS3649N08; Palmitic acid, analytical standard; Palmitic acid, BioXtra, >=99%; Palmitic acid, Grade II, ~95%; HY-N0830; Palmitic acid, natural, 98%, FG; ZINC6072466; Tox21_112105; Tox21_201671; Tox21_302966; AC9381; BBL011563; BDBM50152850; PALMITIC ACID [EP MONOGRAPH]; s3794; STL146733; EDENOR C 16-98-100; Palmitic acid, >=95%, FCC, FG; AKOS005720983; Tox21_112105_1; CCG-267027; CR-0047; DB03796; Palmitic acid, for synthesis, 98.0%; SURFAXIN COMPONENT PALMITIC ACID; NCGC00164358-02; NCGC00164358-03; NCGC00256424-01; NCGC00259220-01; BP-27917; LUCINACTANT COMPONENT PALMITIC ACID; Palmitic acid, purum, >=98.0% (GC); SY006518; CS-0009861; FT-0626965; FT-0772579; P0002; P1145; Palmitic acid, SAJ first grade, >=95.0%; EN300-19603; A14813; C00249; D05341; Palmitic acid, Vetec(TM) reagent grade, 98%; Palmitic acid, >=98% palmitic acid basis (GC); A831313; HEXADECANOIC ACID-13C16 (ALGAL SOURCE) (; Q209727; SR-01000944716-1; SR-01000944716-2; BA71C79B-C9B1-451A-A5BE-B480B5CC7D0C; PALMITIC ACID (CONSTITUENT OF SPIRULINA) [DSC]; F0001-1488; Z104474418; PALMITIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]; Palmitic acid, certified reference material, TraceCERT(R); Palmitic acid, European Pharmacopoeia (EP) Reference Standard; Palmitic acid, United States Pharmacopeia (USP) Reference Standard; Palmitic acid, Pharmaceutical Secondary Standard; Certified Reference Material; Sodium Palmitate, Palmitic acid sodium salt, Sodium hexadecanoate, Sodium pentadecanecarboxylate, HSDB 759
CAS 57-10-3
PubChem CID 985
ChEMBL ID CHEMBL82293
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification:
  • Kingdom: Organic compounds
    • Superclass: Lipids and lipid-like mol
      • Class: Fatty Acyls
        • Subclass: Fatty acids and conjugate
          • Direct Parent: Long-chain fatty acids

ClassyFire Version 1.0
PMID:27867422

NPs Species Source

Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference
Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference

NPs Content

*Note: The vaules in Content Percentage are calculated by dividing the content value by the maximum content value in NP Content.
**Note: The units with different NP content, due to their incomparable values, are separated into different tables.

NPs Biological Activity

Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name
Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name

NPs Physi-Chem Properties

Molecular Weight: 256.42 ALogp: 6.4
HBD: 1 HBA: 2
Rotatable Bonds: 14 Lipinski's rule of five: Rejected
Polar Surface Area: 37.3 Aromatic Rings: 0
Heavy Atoms: 18 QED Weighted: 0.403

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -5.027 MDCK Permeability: 0.00002470
Pgp-inhibitor: 0.009 Pgp-substrate: 0
Human Intestinal Absorption (HIA): 0.005 20% Bioavailability (F20%): 0.644
30% Bioavailability (F30%): 0.991

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.06 Plasma Protein Binding (PPB): 98.95%
Volume Distribution (VD): 0.608 Fu: 1.01%

ADMET: Metabolism

CYP1A2-inhibitor: 0.3 CYP1A2-substrate: 0.194
CYP2C19-inhibitor: 0.203 CYP2C19-substrate: 0.11
CYP2C9-inhibitor: 0.174 CYP2C9-substrate: 0.989
CYP2D6-inhibitor: 0.008 CYP2D6-substrate: 0.054
CYP3A4-inhibitor: 0.024 CYP3A4-substrate: 0.019

ADMET: Excretion

Clearance (CL): 2.377 Half-life (T1/2): 0.61

ADMET: Toxicity

hERG Blockers: 0.056 Human Hepatotoxicity (H-HT): 0.026
Drug-inuced Liver Injury (DILI): 0.043 AMES Toxicity: 0.005
Rat Oral Acute Toxicity: 0.029 Maximum Recommended Daily Dose: 0.015
Skin Sensitization: 0.899 Carcinogencity: 0.064
Eye Corrosion: 0.977 Eye Irritation: 0.978
Respiratory Toxicity: 0.891
*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.

Similar Compounds*

Compounds similar to EMNPD with top10 similarity:

Similar NPs Similar Drugs
NPs ID NPs 2D Structure Similarity Score TTD ID Drug 2D Structure Similarity Score
ENC000356 0.944 D07ILQ 0.734
ENC000466 0.941 D0O1PH 0.625
ENC000110 0.895 D0Z5SM 0.591
ENC000378 0.882 D00AOJ 0.553
ENC000688 0.821 D05ATI 0.508
ENC000357 0.810 D00FGR 0.500
ENC000271 0.780 D0XN8C 0.486
ENC000102 0.765 D0Z5BC 0.475
ENC000426 0.764 D0P1RL 0.452
ENC001593 0.754 D0O1TC 0.443
*Note: the compound similarity was calculated by RDKIT.