Lipids

Cas#: 555-43-1        Compound CID:  11146

Formula:  C₅₇H₁₁₀O₆        Molecular Weight: 891.49

IUPAC Name: 2,3-di(octadecanoyloxy)propyl octadecanoate

SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

InChIKey: DCXXMTOCNZCJGO-UHFFFAOYSA-N

InChI: InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3

Cas#: 112-77-6        Compound CID:  5364783

Formula:  C₁₈H₃₃ClO        Molecular Weight: 300.91

IUPAC Name: (Z)-octadec-9-enoyl chloride

SMILES: CCCCCCCCC=CCCCCCCCC(=O)Cl

InChIKey: MLQBTMWHIOYKKC-KTKRTIGZSA-N

InChI: InChI=1S/C18H33ClO/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/b10-9-

Cas#: 506-30-9        Compound CID:  10467

Formula:  C₂₀H₄₀O₂        Molecular Weight: 312.53

IUPAC Name: icosanoic acid

SMILES: CCCCCCCCCCCCCCCCCCCC(=O)O

InChIKey: VKOBVWXKNCXXDE-UHFFFAOYSA-N

InChI: InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)

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#: 1191-41-9        Compound CID:  5367460

Formula:  C₂₀H₃₄O₂        Molecular Weight: 306.48

IUPAC Name: ethyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

SMILES: CCC=CCC=CCC=CCCCCCCCC(=O)OCC

InChIKey: JYYFMIOPGOFNPK-AGRJPVHOSA-N

InChI: InChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3/b6-5-,9-8-,12-11-

Cas#: 301-00-8       

Formula:  C₁₉H₃₂O₂        Molecular Weight: 292.46

IUPAC Name: methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

SMILES: CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC

InChIKey: DVWSXZIHSUZZKJ-YSTUJMKBSA-N

InChI: InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-

Cas#: 55066-53-0        Compound CID:  6437405

Formula:  C₂₀H₃₈O₃        Molecular Weight: 326.51

IUPAC Name: ethyl (Z,12R)-12-hydroxyoctadec-9-enoate

SMILES: CCCCCCC(CC=CCCCCCCCC(=O)OCC)O

InChIKey: AZXVZUBIFYQWJK-KWRJMZDGSA-N

InChI: InChI=1S/C20H38O3/c1-3-5-6-13-16-19(21)17-14-11-9-7-8-10-12-15-18-20(22)23-4-2/h11,14,19,21H,3-10,12-13,15-18H2,1-2H3/b14-11-/t19-/m1/s1

Cas#: 92921-25-0        Compound CID:  124851

Formula:  C₁₅H₉N₂NaO₉S        Molecular Weight: 416.3

IUPAC Name: 1-[3-(2,5-dioxopyrrol-1-yl)benzoyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid

SMILES: C1C(C(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O)S(=O)(=O)O

InChIKey: DIYPCWKHSODVAP-UHFFFAOYSA-N

InChI: InChI=1S/C15H10N2O9S/c18-11-4-5-12(19)16(11)9-3-1-2-8(6-9)15(22)26-17-13(20)7-10(14(17)21)27(23,24)25/h1-6,10H,7H2,(H,23,24,25)

Cas#: 2420-56-6        Compound CID:  5282800

Formula:  C₁₈H₃₂O₂        Molecular Weight: 280.45

IUPAC Name: (10E,12Z)-octadeca-10,12-dienoic acid

SMILES: CCCCCC=CC=CCCCCCCCCC(=O)O

InChIKey: GKJZMAHZJGSBKD-NMMTYZSQSA-N

InChI: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+