Molecule

hexadecanoic acid

Chemical Information

Molecular Image

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)
SMILES	CCCCCCCCCCCCCCCC(=O)O
InChI Key	IPCSVZSSVZVIGE-UHFFFAOYSA-N
Exact Mass	256.420 g/mol

25 Related Dataset(s) ⌄

Palmitic acid (NMR); LC-ESI-QTOF; MS

Palmitic acid (NMR); LC-ESI-QTOF; MS

Palmitic acid (NMR); LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-

Palmitic acid (NMR); LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-

Palmitic acid (NMR); LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-

Palmitic acid 400 MHz in CDCl3 NMR data[PalmiticAcid_2990ug200uL_CDCl3_13CNMR_400MHz_JDX.jdx]

Palmitic acid 400 MHz in CDCl3 NMR data[PalmiticAcid_2990ug200uL_CDCl3_13CNMR_400MHz_Jeol.jdf]

Palmitic acid 400 MHz in CDCl3 NMR data[PalmiticAcid_2990ug200uL_CDCl3_1HNMR_400MHz_JDX.jdx]

Palmitic acid 400 MHz in CDCl3 NMR data[PalmiticAcid_2990ug200uL_CDCl3_1HNMR_400MHz_Jeol.jdf]

Palmitic acid 400 MHz in CDCl3 NMR data[PalmiticAcid_2990ug200uL_CDCl3_COSY_400MHz_JDX.jdx]

Palmitic acid 400 MHz in CDCl3 NMR data[PalmiticAcid_2990ug200uL_CDCl3_COSY_400MHz_Jeol.jdf]

Palmitic acid 400 MHz in CDCl3 NMR data[PalmiticAcid_2990ug200uL_CDCl3_HMBC_400MHz_JDX.jdx]

Palmitic acid 400 MHz in CDCl3 NMR data[PalmiticAcid_2990ug200uL_CDCl3_HMBC_400MHz_Jeol.jdf]

Palmitic acid 400 MHz in CDCl3 NMR data[PalmiticAcid_2990ug200uL_CDCl3_HSQC_400MHz_JDX.jdx]

Palmitic acid 400 MHz in CDCl3 NMR data[PalmiticAcid_2990ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]

PALMITIC ACID; EI-B; MS

Palmitic acid; GC-EI-TOF; MS; 1 TMS; BP:117

Palmitic acid; GC-EI-TOF; MS; 1 TMS; BP:73

Palmitic acid; LC-ESI-IT; MS2; m/z: 255.3; [M-H]-

Palmitic acid; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-

Palmitic acid; LC-ESI-QTOF; MS2; CE: 15 / 50; [M-H]-

Palmitic acid; LC-ESI-QTOF; MS2; CE: 15.00; [M+H]+

Palmitic acid; LC-ESI-QTOF; MS2; CE: 15.00; [M-H]-

Palmitic acid; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-

Palmitic acid; LC-ESI-QTOF; MS2; CE: 30; [M-H]-

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol8483
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
DB03796	drugbank
CHEBI:15756	chebi
LMFA01010001	lipidmaps
FAT	rcsb_pdb
PLM	rcsb_pdb
CHEMBL82293	chembl
20549353	surechembl
6177	surechembl
135369651	pubchem
985	pubchem
2V16EO95H1	fdasrs
PLM	pdbe
1055	gtopdb
PD007233	probes_and_drugs
YEFWEM	CCDC
16189	brenda
180140	brenda
180141	brenda
30151	brenda
4529	brenda
45639	brenda
517	brenda
535	brenda
64992	brenda
97710	brenda
97712	brenda
HMDB0000220	hmdb
DTXSID2021602	comptox
FDB031084	foodb
Molport-001-780-241	molport
50152850	bindingdb
The data in this table is sourced from UniChem at EBI.