|
|
SOH-769 / 16:0-3OH / 3-Hydroxyhexadecanoic acid ME |
Names: Methyl 3-hydroxyhexadecanoate; Methyl 3-hydroxypalmitate; 3-Hydroxyhexadecanoic acid methyl ester
Formula: C17H34O3
Molar mass: 286.454 Da
Monoisotopic mass: 286.251 Da
SMILES: CCCCCCCCCCCCCC(CC(=O)OC)O
InChI Key: YBTWUESFQWFDMR-UHFFFAOYSA-N
InChI: 1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20-2/h16,18H,3-15H2,1-2H3
ChEBI code: CHEBI:29479
Lipid Maps code: LMFA01050427
Typical retention indexes:
- ECL on BPX70: 21.531
- ECL on Wax: 20.747
- ECL on DB225: 19.715
- ECL on 5% phenyl: 17.486
- KI on Wax: 2703
- KI on DB225: 2569
- KI on 5% phenyl: 2076
Names: 3-Hydroxyhexadecanoic acid; 3-Hydroxypalmitic acid
Formula: C16H32O3
Molar mass: 272.427 Da
SMILES: CCCCCCCCCCCCCC(O)CC(O)=O
InChI Key: CBWALJHXHCJYTE-UHFFFAOYSA-N
InChI: 1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
ChEBI code: CHEBI:37248
Lipid Maps code: LMFA01050188
|
Data are acquired on Agilent 5972, 5973 and 5975 instruments at Nofima, Institute of Marine Research and University of Bergen. Molecular structures are created in Open Babel. |