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SAN-016 / 25:0 / 25:0

Names: Methyl pentacosanoate;  Pentacosanoic acid methyl ester

Formula: C26H52O2

Molar mass: 396.696 Da

Monoisotopic mass: 396.397 Da

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC

InChI Key: WOPKHAQDUMDJIY-UHFFFAOYSA-N

InChI: 1S/C26H52O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-2/h3-25H2,1-2H3

Typical retention indexes:
- ECL on BPX70: 25.000
- ECL on BP20: 25.000
- ECL on DB225: 25.000
- ECL on SLB-IL82: 25.000
- ECL on SLB-IL100: 25.000

Non-derivatized:

Name: Pentacosanoic acid

Formula: C25H50O2

Molar mass: 382.669 Da

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC(O)=O

InChI Key: MWMPEAHGUXCSMY-UHFFFAOYSA-N

InChI: 1S/C25H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-24H2,1H3,(H,26,27)

ChEBI code: CHEBI:39420

Lipid Maps code: LMFA01010025



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.