Lipids

Cas#: 22882-95-7        Compound CID:  5352860

Formula:  C₂₁H₃₈O₂        Molecular Weight: 322.53

IUPAC Name: propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate

SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OC(C)C

InChIKey: XEIOPEQGDSYOIH-MURFETPASA-N

InChI: InChI=1S/C21H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h8-9,11-12,20H,4-7,10,13-19H2,1-3H3/b9-8-,12-11-

Cas#: 1731-88-0        Compound CID:  15608

Formula:  C₁₄H₂₈O₂        Molecular Weight: 228.37

IUPAC Name: methyl tridecanoate

SMILES: CCCCCCCCCCCCC(=O)OC

InChIKey: JNDDPBOKWCBQSM-UHFFFAOYSA-N

InChI: InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3-13H2,1-2H3

Cas#: 123-72-8        Compound CID:  261

Formula:  C₄H₈O        Molecular Weight: 72.11

IUPAC Name: butanal

SMILES: CCCC=O

InChIKey: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N

InChI: InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3

Cas#: 105-54-4        Compound CID:  7762

Formula:  C₆H₁₂O₂        Molecular Weight: 116.16

IUPAC Name: ethyl butanoate

SMILES: CCCC(=O)OCC

InChIKey: OBNCKNCVKJNDBV-UHFFFAOYSA-N

InChI: InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3

Cas#: 106-30-9       

Formula:  C₉H₁₈O₂        Molecular Weight: 158.24

IUPAC Name: ethyl heptanoate

SMILES: CCCCCCC(=O)OCC

InChIKey: TVQGDYNRXLTQAP-UHFFFAOYSA-N

InChI: InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3

Cas#: 539-82-2        Compound CID:  10882

Formula:  C₇H₁₄O₂        Molecular Weight: 130.18

IUPAC Name: ethyl pentanoate

SMILES: CCCCC(=O)OCC

InChIKey: ICMAFTSLXCXHRK-UHFFFAOYSA-N

InChI: InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3

Cas#: 142-62-1        Compound CID:  8892

Formula:  C₆H₁₂O₂        Molecular Weight: 116.16

IUPAC Name: hexanoic acid

SMILES: CCCCCC(=O)O

InChIKey: FUZZWVXGSFPDMH-UHFFFAOYSA-N

InChI: InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)

Cas#: 105-45-3        Compound CID:  7757

Formula:  C₅H₈O₃        Molecular Weight: 116.12

IUPAC Name: methyl 3-oxobutanoate

SMILES: CC(=O)CC(=O)OC

InChIKey: WRQNANDWMGAFTP-UHFFFAOYSA-N

InChI: InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3

Cas#: 79-09-4        Compound CID:  1032

Formula:  C₃H₆O₂        Molecular Weight: 74.08

IUPAC Name: propanoic acid

SMILES: CCC(=O)O

InChIKey: XBDQKXXYIPTUBI-UHFFFAOYSA-N

InChI: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)