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OTH-357 / a-Lipoic acid ME / alpha-Lipoic acid ME |
Name: 5-[(3R)-dithiolan-3-yl]pentanoic acid methyl ester
Formula: C9H16O2S2
Molar mass: 220.344 Da
Monoisotopic mass: 220.059 Da
SMILES: C1CSS[C@@H]1CCCCC(=O)OC
InChI Key: PVXPIJICTUHMAO-MRVPVSSYSA-N
InChI: 1S/C9H16O2S2/c1-11-9(10)5-3-2-4-8-6-7-12-13-8/h8H,2-7H2,1H3/t8-/m1/s1
Typical retention indexes:
- ECL on BPX70: 24.200
Name: 5-[(3R)-dithiolan-3-yl]pentanoic acid
Formula: C8H14O2S2
Molar mass: 206.317 Da
SMILES: OC(=O)CCCC[C@@H]1CCSS1
InChI Key: AGBQKNBQESQNJD-SSDOTTSWSA-N
InChI: 1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1
ChEBI code: CHEBI:30314
Lipid Maps code: LMFA01130001
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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. |