Lipids

Cas#: 2177-77-7        Compound CID:  519890

Formula:  C₇H₁₄O₂        Molecular Weight: 130.18

IUPAC Name: methyl 2-methylpentanoate

SMILES: CCCC(C)C(=O)OC

InChIKey: ZTULNMNIVVMLIU-UHFFFAOYSA-N

InChI: InChI=1S/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3

Cas#: 18281-05-5        Compound CID:  29009

Formula:  C₂₂H₄₄O₂        Molecular Weight: 340.58

IUPAC Name: ethyl icosanoate

SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OCC

InChIKey: YBKSMWBLSBAFBQ-UHFFFAOYSA-N

InChI: InChI=1S/C22H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h3-21H2,1-2H3

Cas#: 53053-51-3        Compound CID:  65425

Formula:  CH₃S(CH₂)₃CO₂CH₃        Molecular Weight: 148.22

IUPAC Name: methyl 4-methylsulfanylbutanoate

SMILES: COC(=O)CCCSC

InChIKey: HQDLZISNHUMXEA-UHFFFAOYSA-N

InChI: InChI=1S/C6H12O2S/c1-8-6(7)4-3-5-9-2/h3-5H2,1-2H3

Cas#: 148562-12-3        Compound CID:  46739068

Formula:  C₆H₁₄BBrO₂        Molecular Weight: 208.89

IUPAC Name: 6-bromohexylboronic acid

SMILES: B(CCCCCCBr)(O)O

InChIKey: BGHGWFMYADQHHC-UHFFFAOYSA-N

InChI: InChI=1S/C6H14BBrO2/c8-6-4-2-1-3-5-7(9)10/h9-10H,1-6H2

Cas#: 143-19-1        Compound CID:  23665730

Formula:  C₁₈H₃₃NaO₂        Molecular Weight: 304.44

IUPAC Name: sodium;(Z)-octadec-9-enoate

SMILES: CCCCCCCCC=CCCCCCCCC(=O)[O-].[Na+]

InChIKey: BCKXLBQYZLBQEK-KVVVOXFISA-M

InChI: InChI=1S/C18H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b10-9-;

Cas#: 130506-22-8        Compound CID:  1871

Formula:  C₉H₅NO₃        Molecular Weight: 175.14

IUPAC Name: 6-nitrosochromen-2-one

SMILES: C1=CC2=C(C=CC(=O)O2)C=C1N=O

InChIKey: HXTDAUGEZTYMGP-UHFFFAOYSA-N

InChI: InChI=1S/C9H5NO3/c11-9-4-1-6-5-7(10-12)2-3-8(6)13-9/h1-5H

Cas#: 7737-62-4        Compound CID:  559036

Formula:  C₉H₁₆O₃        Molecular Weight: 172.22

IUPAC Name: ethyl 3-oxoheptanoate

SMILES: CCCCC(=O)CC(=O)OCC

InChIKey: UKRVECBFDMVBPU-UHFFFAOYSA-N

InChI: InChI=1S/C9H16O3/c1-3-5-6-8(10)7-9(11)12-4-2/h3-7H2,1-2H3

Cas#: 175213-46-4        Compound CID:  1514280

Formula:  C₁₃H₂₃NO₄        Molecular Weight: 257.3

IUPAC Name: tert-butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)OC

InChIKey: ADFSCQGCEAKLOE-UHFFFAOYSA-N

InChI: InChI=1S/C13H23NO4/c1-13(2,3)18-12(16)14-7-5-10(6-8-14)9-11(15)17-4/h10H,5-9H2,1-4H3

Cas#: 336185-30-9        Compound CID:  2733738

Formula:  C₁₀H₁₅NO₂S        Molecular Weight: 213.29

IUPAC Name: ethyl (1R,2S)-2-isothiocyanatocyclohexane-1-carboxylate

SMILES: CCOC(=O)C1CCCCC1N=C=S

InChIKey: AIKOBLQGXOVNNL-BDAKNGLRSA-N

InChI: InChI=1S/C10H15NO2S/c1-2-13-10(12)8-5-3-4-6-9(8)11-7-14/h8-9H,2-6H2,1H3/t8-,9+/m1/s1

Cas#: 36078-10-1        Compound CID:  6437535

Formula:  C₃₀H₅₈O₂        Molecular Weight: 450.78

IUPAC Name: dodecyl (Z)-octadec-9-enoate

SMILES: CCCCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC

InChIKey: OXPCWUWUWIWSGI-MSUUIHNZSA-N

InChI: InChI=1S/C30H58O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-25-23-21-14-12-10-8-6-4-2/h16-17H,3-15,18-29H2,1-2H3/b17-16-

Cas#: 98548-90-4        Compound CID:  4114360

Formula:  C₆H₁₁NO₂        Molecular Weight: 129.16

IUPAC Name: methyl pyrrolidine-3-carboxylate

SMILES: COC(=O)C1CCNC1

InChIKey: VVWWZOKQKXPVIV-UHFFFAOYSA-N

InChI: InChI=1S/C6H11NO2/c1-9-6(8)5-2-3-7-4-5/h5,7H,2-4H2,1H3

Cas#: 112-63-0        Compound CID:  5284421

Formula:  C₁₉H₃₄O₂        Molecular Weight: 294.47

IUPAC Name: methyl (9Z,12Z)-octadeca-9,12-dienoate

SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OC

InChIKey: WTTJVINHCBCLGX-NQLNTKRDSA-N

InChI: InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-