Lipids

Cas#: 10311-82-7        Compound CID:  6441321

Formula:  C₃₁H₃₉ClO₃        Molecular Weight: 374.99

IUPAC Name: (3-chloro-2-hydroxypropyl) (Z)-octadec-9-enoate

SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(CCl)O

InChIKey: GQUYTVRTHVOZHT-KTKRTIGZSA-N

InChI: InChI=1S/C21H39ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,23H,2-8,11-19H2,1H3/b10-9-

Cas#: 115863-91-7        Compound CID:  65032

Formula:  C₂₄H₄₆O₂        Molecular Weight: 366.62

IUPAC Name: tetracos-15-enoic acid

SMILES: CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O

InChIKey: GWHCXVQVJPWHRF-UHFFFAOYSA-N

InChI: InChI=1S/C24H46O2/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/h9-10H,2-8,11-23H2,1H3,(H,25,26)

Cas#: 110-34-9        Compound CID:  66967

Formula:  C₂₀H₄₀O₂        Molecular Weight: 312.54

IUPAC Name: 2-methylpropyl hexadecanoate

SMILES: CCCCCCCCCCCCCCCC(=O)OCC(C)C

InChIKey: OJIBJRXMHVZPLV-UHFFFAOYSA-N

InChI: InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19(2)3/h19H,4-18H2,1-3H3

Cas#: 822-16-2        Compound CID:  2724691

Formula:  C₁₈H₃₅NaO₂        Molecular Weight: 306.46

IUPAC Name: sodium;octadecanoate

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

InChIKey: RYYKJJJTJZKILX-UHFFFAOYSA-M

InChI: InChI=1S/C18H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1

Cas#: 61849-14-7       

Formula:  C₂₀H₃₁NaO₅        Molecular Weight: 374.45

IUPAC Name: sodium;(5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate

SMILES: CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)[O-])O2)O)O.[Na+]

InChIKey: LMHIPJMTZHDKEW-XQYLJSSYSA-M

InChI: InChI=1S/C20H32O5.Na/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22;/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24);/q;+1/p-1/b11-10+,15-8-;/t14-,16+,17+,18+,19-;/m0./s1

Cas#: 2778-96-3        Compound CID:  17720

Formula:  C₃₆H₇₂O₂        Molecular Weight: 536.96

IUPAC Name: octadecyl octadecanoate

SMILES: CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC

InChIKey: NKBWPOSQERPBFI-UHFFFAOYSA-N

InChI: InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3

Cas#: 7367-82-0       

Formula:  C₁₀H₁₈O₂        Molecular Weight: 170.25

IUPAC Name: ethyl (E)-oct-2-enoate

SMILES: CCCCCC=CC(=O)OCC

InChIKey: AISZSTYLOVXFII-CMDGGOBGSA-N

InChI: InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3/b9-8+

Cas#: 24823-81-2        Compound CID:  141145

Formula:  C₆H₁₄O₃        Molecular Weight: 134.17

IUPAC Name: 1,1,1-trimethoxypropane

SMILES: CCC(OC)(OC)OC

InChIKey: ZGMNAIODRDOMEK-UHFFFAOYSA-N

InChI: InChI=1S/C6H14O3/c1-5-6(7-2,8-3)9-4/h5H2,1-4H3

Cas#: 141550-13-2        Compound CID:  15385603

Formula:  C₁₁H₂₁BO₂        Molecular Weight: 196.09

IUPAC Name: 4,4,5,5-tetramethyl-2-(3-methylbut-2-enyl)-1,3,2-dioxaborolane

SMILES: B1(OC(C(O1)(C)C)(C)C)CC=C(C)C

InChIKey: QXDMQRNIDKVRCN-UHFFFAOYSA-N

InChI: InChI=1S/C11H21BO2/c1-9(2)7-8-12-13-10(3,4)11(5,6)14-12/h7H,8H2,1-6H3

Cas#: 16165-66-5        Compound CID:  85311

Formula:  C₁₀H₂₃O₃P        Molecular Weight: 222.26

IUPAC Name: 1-diethoxyphosphorylhexane

SMILES: CCCCCCP(=O)(OCC)OCC

InChIKey: VVUJWLDQIIFQHI-UHFFFAOYSA-N

InChI: InChI=1S/C10H23O3P/c1-4-7-8-9-10-14(11,12-5-2)13-6-3/h4-10H2,1-3H3

Cas#: 57677-95-9        Compound CID:  14550408

Formula:  C₁₆H₉F₂₆O₄P        Molecular Weight: 790.17

IUPAC Name: bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) hydrogen phosphate

SMILES: C(COP(=O)(O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChIKey: ZDYYWMSLMLTXDM-UHFFFAOYSA-N

InChI: InChI=1S/C16H9F26O4P/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-45-47(43,44)46-4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h1-4H2,(H,43,44)

Cas#: 59558-23-5        Compound CID:  43046

Formula:  C₁₅H₂₂O₂        Molecular Weight: 234.34

IUPAC Name: (4-methylphenyl) octanoate

SMILES: CCCCCCCC(=O)OC1=CC=C(C=C1)C

InChIKey: ALRYNTSLFYRKGF-UHFFFAOYSA-N

InChI: InChI=1S/C15H22O2/c1-3-4-5-6-7-8-15(16)17-14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3