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SAB-075 / ai-18:0 / 15-Methylheptadecanoic acid ME

Names: Methyl 15-methylheptadecanoate;  15-methylheptadecanoic acid methyl ester

Formula: C19H38O2

Molar mass: 298.508 Da

Monoisotopic mass: 298.287 Da

SMILES: CCC(C)CCCCCCCCCCCCCC(=O)OC

InChI Key: NMNGCYQFGHXXPY-UHFFFAOYSA-N

InChI: 1S/C19H38O2/c1-4-18(2)16-14-12-10-8-6-5-7-9-11-13-15-17-19(20)21-3/h18H,4-17H2,1-3H3

Typical retention indexes:
- ECL on BPX70: 17.708

Non-derivatized:

Name: 15-methylheptadecanoic acid

Formula: C18H36O2

Molar mass: 284.481 Da

SMILES: CCC(C)CCCCCCCCCCCCCC(O)=O

InChI Key: MAFSBQRWNXDTRK-UHFFFAOYSA-N

InChI: 1S/C18H36O2/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)

Lipid Maps code: LMFA01020205



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.