TabernaDB

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

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

- PubChem CID: 985
- CAS RN: 57-10-3
- ChEMBL: CHEMBL82293
- PDB: PLM
- DrugBank: DB03796
- ChEBI: 15756
- KEGG: C00249
- ZINC: ZINC000006072466
- Metabolights: MTBLC15756
- EPA CompTox Dashboard: DTXSID2021602
- BindingDB: 50152850
- NMRShiftDB: 60018539
- GNPS: CCMSLIB00006577641

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

Category	Property 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

palmitic acid