Lipids

Cas#: 8002-43-5       

Formula:  C₄₂H₈₀NO₈P        Molecular Weight: 758.06

IUPAC Name: [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

SMILES: [P](=O)([O-])(OC[C@H](OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCCCCCC)OCC[N+](C)(C)C

InChIKey: JLPULHDHAOZNQI-ZTIMHPMXSA-N

InChI: InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1

Cas#: 301-02-0        Compound CID:  5283387

Formula:  C₁₈H₃₅NO        Molecular Weight: 281.48

IUPAC Name: (Z)-octadec-9-enamide

SMILES: CCCCCCCCC=CCCCCCCCC(=O)N

InChIKey: FATBGEAMYMYZAF-KTKRTIGZSA-N

InChI: InChI=1S/C18H35NO/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,(H2,19,20)/b10-9-

Cas#: 6309-51-9        Compound CID:  61386

Formula:  C₁₇H₃₄O₂        Molecular Weight: 270.46

IUPAC Name: 3-methylbutyl dodecanoate

SMILES: CCCCCCCCCCCC(=O)OCCC(C)C

InChIKey: FVKRIDSRWFEQME-UHFFFAOYSA-N

InChI: InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3

Cas#: 7459-33-8        Compound CID:  9817754

Formula:  C₁₈H₃₁ClO        Molecular Weight: 298.9

IUPAC Name: (9Z,12Z)-octadeca-9,12-dienoyl chloride

SMILES: CCCCCC=CCC=CCCCCCCCC(=O)Cl

InChIKey: FBWMYSQUTZRHAT-HZJYTTRNSA-N

InChI: InChI=1S/C18H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3/b7-6-,10-9-

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#: 110-36-1        Compound CID:  8047

Formula:  C₁₈H₃₆O₂        Molecular Weight: 284.48

IUPAC Name: butyl tetradecanoate

SMILES: CCCCCCCCCCCCCC(=O)OCCCC

InChIKey: DHAZIUXMHRHVMP-UHFFFAOYSA-N

InChI: InChI=1S/C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18(19)20-17-6-4-2/h3-17H2,1-2H3

Cas#: 2765-11-9        Compound CID:  17697

Formula:  C₁₅H₃₀O        Molecular Weight: 226.4

IUPAC Name: pentadecanal

SMILES: CCCCCCCCCCCCCCC=O

InChIKey: XGQJZNCFDLXSIJ-UHFFFAOYSA-N

InChI: InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3

Cas#: 2734-47-6        Compound CID:  6421261

Formula:  CH₃(CH₂CH=CH)₅(CH₂)₃CO₂CH₃        Molecular Weight: 316.48

IUPAC Name: methyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

SMILES: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC

InChIKey: QWDCYFDDFPWISL-JEBPEJKESA-N

InChI: InChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-

Cas#: 629-80-1        Compound CID:  984

Formula:  C₁₆H₃₂O        Molecular Weight: 240.43

IUPAC Name: hexadecanal

SMILES: CCCCCCCCCCCCCCCC=O

InChIKey: NIOYUNMRJMEDGI-UHFFFAOYSA-N

InChI: InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3

Cas#: 112-76-5        Compound CID:  8212

Formula:  C₁₈H₃₅ClO        Molecular Weight: 302.92

IUPAC Name: octadecanoyl chloride

SMILES: CCCCCCCCCCCCCCCCCC(=O)Cl

InChIKey: WTBAHSZERDXKKZ-UHFFFAOYSA-N

InChI: InChI=1S/C18H35ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3

Cas#: 1663-61-2        Compound CID:  74268

Formula:  C₁₃H₂₀O₃        Molecular Weight: 224.3

IUPAC Name: triethoxymethylbenzene

SMILES: CCOC(C1=CC=CC=C1)(OCC)OCC

InChIKey: BQFPCTXLBRVFJL-UHFFFAOYSA-N

InChI: InChI=1S/C13H20O3/c1-4-14-13(15-5-2,16-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3

Cas#: 5350-03-8        Compound CID:  62571

Formula:  C₁₇H₃₄O₂        Molecular Weight: 270.46

IUPAC Name: pentyl dodecanoate

SMILES: CCCCCCCCCCCC(=O)OCCCCC

InChIKey: PQWBDPUBNMEITD-UHFFFAOYSA-N

InChI: InChI=1S/C17H34O2/c1-3-5-7-8-9-10-11-12-13-15-17(18)19-16-14-6-4-2/h3-16H2,1-2H3