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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

Typical retention indexes:
- ECL on BPX70: 21.532
- ECL on BP20: 20.747
- ECL on DB225: 19.715

Non-derivatized:

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.