palmitic acid






Names

    • NCGC00164358-03
    • Z104474418
    • GTPL1055
    • Prifrac 2960
    • 1-Pentadecanecarboxylic acid
    • Hystrene 9016
    • Palmitic acid, >=95%, FCC, FG
    • CCG-267027
    • EINECS 200-312-9
    • PALMITIC ACID [EP MONOGRAPH]
    • 3v2q
    • hexadecoic acid
    • PALMITIC ACID (CONSTITUENT OF SPIRULINA) [DSC]
    • Acid, Hexadecanoic
    • PALMITIC ACID [WHO-DD]
    • HY-N0830
    • Palmitinsaure
    • 4-02-00-01157 (Beilstein Handbook Reference)
    • BDBM50152850
    • Palmitic acid, analytical standard
    • Palmitic acid, Vetec(TM) reagent grade, 98%
    • Palmitic acid, certified reference material, TraceCERT(R)
    • Hexadecylic acid
    • 1ST1714
    • EC 200-312-9
    • Hexadecanoate (n-C16:0)
    • Emersol 143
    • HEXADECANOIC-11,11,12,12-D4 ACID
    • NCGC00259220-01
    • Hexadecanoic--d5 Acid
    • HSDB 5001
    • 1b56
    • Palmitic acid, natural, 98%, FG
    • SY006518
    • 1ST1714-1000
    • IMEX C 1498
    • Cetylic acid
    • C00249
    • PALMITIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]
    • PA 900
    • C16:0
    • HMS3649N08
    • Pentadecanecarboxylic acid
    • AI3-01594
    • PALMITIC ACID (CONSTITUENT OF SAW PALMETTO)
    • PALMITIC ACID [VANDF]
    • LUCINACTANT COMPONENT PALMITIC ACID
    • Palmitic acid (Standard)
    • HEXADECANOIC-9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-D17 ACID
    • WLN: QV15
    • Palmitic acid; Hexadecanoic acid
    • AKOS005720983
    • PALMITIC ACID (MART.)
    • n-Hexadecanoic acid
    • CHEBI:15756
    • Lunac P 95
    • Prifac-2960
    • 2hnx
    • Edenor C16
    • Palmitic acid, for synthesis, 98.0%
    • Palmitic acid, BioXtra, >=99%
    • LMFA01010001
    • Sodium Palmitate, Palmitic acid sodium salt, Sodium hexadecanoate, Sodium pentadecanecarboxylate, HSDB 759
    • Industrene 4516
    • Hydrofol
    • Palmitinate
    • Epitope ID:141181
    • palmitic acid
    • Hydrofol Acid 1690
    • FA 1695
    • Hexadecanoic acid (9CI)
    • PALMITIC ACID [FCC]
    • Palmitic acid, United States Pharmacopeia (USP) Reference Standard
    • PALMITIC ACID (CONSTITUENT OF SPIRULINA)
    • PALMITIC ACID [MI]
    • CH3-(CH2)14-COOH
    • NS00008548
    • CR-0047
    • Tox21_112105
    • Palmitic acid, >=98% palmitic acid basis (GC)
    • CCRIS 5443
    • Tox21_302966
    • fatty acid 16:0
    • palmitate
    • s3794
    • Hexadecanoic acid 10 microg/mL in Acetonitrile
    • UNII-2V16EO95H1
    • CS-0009861
    • Palmitic acid, Grade II, ~95%
    • Hexadecoate
    • EN300-19603
    • 1219802-61-5
    • Hexadecanoic acid Solution in Methanol, 1000mug/mL
    • FAT
    • Lunac P 98
    • PALMITIC ACID [II]
    • CAS-57-10-3
    • NSC 5030
    • Palmitic acid_jeyam
    • BRN 0607489
    • HY-N0830R
    • Palmitinsaeure
    • PALMITIC ACID [DSC]
    • NSC5030
    • PALMITIC ACID [HSDB]
    • NCGC00164358-01
    • NCGC00164358-02
    • DTXCID101602
    • palmitoate
    • Palmitic acid_RaGuSa
    • AC9381
    • bmse000590
    • Prifac 2960
    • Hexadecoic acid , hexadecanoic acid , Cetylic acid
    • P1145
    • Palmitic acid, European Pharmacopoeia (EP) Reference Standard
    • pentadecanecarboxylate
    • Emersol 140
    • 1-Hexyldecanoic Acid
    • 2V16EO95H1
    • DB03796
    • Cetyl acid
    • Palmitic acid (NF)
    • SCHEMBL6177
    • PALMITIC ACID [USAN]
    • Palmitic acid [USAN:NF]
    • palmitoic acid
    • MFCD00002747
    • Tox21_112105_1
    • NCGC00256424-01
    • Palmitic acid, SAJ first grade, >=95.0%
    • QSPL 166
    • CETYL ACID [VANDF]
    • n-hexadecoate
    • Hexadecanoic acid anion
    • Aethalic acid
    • BA71C79B-C9B1-451A-A5BE-B480B5CC7D0C
    • Palmitic acid, pure
    • CH3-[CH2]14-COOH
    • palmitic-acid
    • Palmitic Acid, FCC
    • SR-01000944716
    • SURFAXIN COMPONENT PALMITIC ACID
    • Hexadecanoicacid
    • 1-hexyldecanoate
    • Palmitic acid 95%
    • Hexadecanoic acid Palmitic acid
    • 2hmb
    • Palmitic acid, purum, >=98.0% (GC)
    • D05341
    • STL146733
    • Palmitic acid, >=99%
    • BP-27917
    • Lunac P 95KC
    • Palmitic acid (natural)
    • SR-01000944716-2
    • PLM
    • Pristerene-4934
    • PALMITIC ACID (II)
    • Kortacid 1698
    • 1-MONOPALMITIN_met001
    • Glycon P-45
    • Tox21_201671
    • Palmitic acid (7CI,8CI)
    • PALMITIC ACID (CONSTITUENT OF BORAGE SEED OIL)
    • P5585_SIGMA
    • BBL011563
    • (1(1)(3)C)hexadecanoic acid
    • PALMITIC ACID [MART.]
    • FA 16:0
    • Q209727
    • Pristerene 4934
    • DTXSID2021602
    • PALMITIC ACID (EP MONOGRAPH)
    • FEMA No. 2832
    • PALMITIC ACID (CONSTITUENT OF FLAX SEED OIL)
    • PALMITIC ACID [USP-RS]
    • CHEMBL82293
    • Hystrene 8016
    • Loxiol EP 278
    • n-Hexadecyclic Acid
    • F0001-1488
    • Palmitinic acid
    • Palmitic acid, Pharmaceutical Secondary Standard; Certified Reference Material
    • Acid, Palmitic
    • PALMITIC ACID [FHFI]
    • NSC-5030
    • P0002
    • Univol U332
    • EDENOR C 16-98-100
    • hexaectylic acid
    • Hexadecanoic acid
    • 57-10-3
    • Kortacid 1695
    • palmic acid
    • SR-01000944716-1
    • n-Hexadecoic acid
    • PALMITIC ACID (CONSTITUENT OF EVENING PRIMROSE OIL)

Attributes

  • Canonical SMILES

    CCCCCCCCCCCCCCC(=O)O

  • InChI

    InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)

  • Molecule Class: Minor compounds
  • TPSA: 37.3
  • #RotBonds: 13
  • MW: 242.40299999999993
  • HBD: 1
  • HBA: 1
  • logP: 5.162200000000004
  • Chemical Formula: C15H30O2


Species

    Species Place of Collection NCBI Taxonomy Voucher Specimen
    T. catharinensis Brazil 403124 UEC117862

External Databases


References

  • Chromatographic analysis and antioxidant capacity of Tabernaemontana catharinensis. Nat Prod Commun, 2014 (PMID 24660464).

Compound-Protein Relationships

Compound Activities

    • Antioxidant

Predicted NMR Spectral Data


Predicted MS Fragmentation Pattern

    N.B.: It is recommended to zoom in on a specific area of an MS plot before hovering on a peak.


Predicted ADMET Properties

    Property Model Name Predicted Value

    Absorption Caco-2 (logPaap) -4.82
    Human Oral Bioavailability 20% Non-Bioavailable
    Human Intestinal Absorption Absorbed
    Madin-Darby Canine Kidney -4.0
    Human Oral Bioavailability 50% Non-Bioavailable
    P-Glycoprotein Inhibitor Non-Inhibitor
    P-Glycoprotein Substrate Non-Substrate
    Skin Permeability -2.66

    Distribution Blood-Brain Barrier (Central Nervous System) -2.23
    Blood-Brain Barrier Penetrable
    Fraction Unbound (Human) 1.17
    Plasma Protein Binding 42.11
    Steady State Volume of Distribution 0.59

    Metabolism Breast Cancer Resistance Protein Non-Inhibitor
    CYP 1A2 Inhibitor Non-Inhibitor
    CYP 1A2 substrate Non-Substrate
    CYP 2C19 Inhibitor Inhibitor
    CYP 2C19 substrate Non-Substrate
    CYP 2C9 Inhibitor Non-Inhibitor
    CYP 2C9 Substrate Substrate
    CYP 2D6 Inhibitor Non-Inhibitor
    CYP 2D6 Substrate Non-Substrate
    CYP 3A4 Inhibitor Non-Inhibitor
    CYP 3A4 Substrate Non-Substrate
    OATP1B1 Non-Inhibitor
    OATP1B3 Non-Inhibitor

    Excretion Clearance None
    Organic Cation Transporter 2 Non-Inhibitor
    Half-Life of Drug Half-Life >= 3hs

    Toxicity AMES Mutagenesis Safe
    Avian Safe
    Bee Safe
    Bioconcentration Factor 1.13
    Biodegradation Toxic
    Carcinogenesis Safe
    Crustacean Toxic
    Liver Injury I Safe
    Eye Corrosion Toxic
    Eye irritation Toxic
    Maximum Tolerated Dose 2.21
    Liver Injury II Safe
    hERG Blockers Safe
    Daphnia Maga 2.73
    Micronucleos Safe
    NR-AhR Safe
    NR-AR Safe
    NR-AR-LBD Safe
    NR-Aromatase Safe
    NR-ER Safe
    NR-ER-LBD Safe
    NR-GR Safe
    NR-PPAR-gamma Safe
    NR-TR Safe
    T. Pyriformis 5.58
    Rat (Acute) 1.32
    Rat (Chronic Oral) 2.27
    Fathead Minnow 3.92
    Respiratory Disease Toxic
    Skin Sensitisation Toxic
    SR-ATAD5 Safe
    SR-ARE Safe
    SR-HSE Safe
    SR-MMP Safe
    SR-p53 Safe

    General Properties Boiling Point 330.33
    Hydration Free Energy -5.12
    Log(D) at pH=7.4 3.36
    Log(P) 6.59
    Log S -4.87
    Log(Vapor Pressure) -5.66
    Melting Point 59.46
    pKa Acid 4.85
    pKa Basic 8.7