Lipids

Cas#: 2601-90-3        Compound CID:  6436908

Formula:  C₂₀H₃₇NO₃        Molecular Weight: 339.51

IUPAC Name: 2-[[(Z)-octadec-9-enoyl]amino]acetic acid

SMILES: CCCCCCCCC=CCCCCCCCC(=O)NCC(=O)O

InChIKey: HPFXACZRFJDURI-KTKRTIGZSA-N

InChI: InChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h9-10H,2-8,11-18H2,1H3,(H,21,22)(H,23,24)/b10-9-

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#: 112-54-9        Compound CID:  8194

Formula:  C₁₂H₂₄O        Molecular Weight: 184.32

IUPAC Name: dodecanal

SMILES: CCCCCCCCCCCC=O

InChIKey: HFJRKMMYBMWEAD-UHFFFAOYSA-N

InChI: InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3

Cas#: 1177357-94-6        Compound CID:  126455948

Formula:  C₂₆H₃₉NO₅S        Molecular Weight: 477.66

IUPAC Name: [(3R,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate;pyridine

SMILES: CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)O)C)C.C1=CC=NC=C1

InChIKey: MRONXFCVCNETJP-MQJYZQBZSA-N

InChI: InChI=1S/C21H34O5S.C5H5N/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3;1-2-4-6-5-3-1/h14-19H,4-12H2,1-3H3,(H,23,24,25);1-5H/t14-,15+,16-,17+,18-,19-,20-,21+;/m0./s1

Cas#: 98168-52-6        Compound CID:  5316908

Formula:  C₃₉H₇₂O₅        Molecular Weight: 620.99

IUPAC Name: [2-hydroxy-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate

SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)O

InChIKey: DRAWQKGUORNASA-XPWSMXQVSA-N

InChI: InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17+,20-18+

Cas#: 2825-79-8        Compound CID:  5282750

Formula:  C₁₈H₃₄O₂        Molecular Weight: 282.46

IUPAC Name: (E)-octadec-2-enoic acid

SMILES: CCCCCCCCCCCCCCCC=CC(=O)O

InChIKey: LKOVPWSSZFDYPG-WUKNDPDISA-N

InChI: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/b17-16+

Cas#: 3331-34-8        Compound CID:  45040152

Formula:  C₃₇H₇₀O₅        Molecular Weight: 594.95

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

SMILES: O=C(OC(CO)COC(CCCCCCC/C=C\CCCCCCCC)=O)CCCCCCCCCCCCCCC

InChIKey: DOZKMFVMCATMEH-ZCXUNETKSA-N

InChI: InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17-

Cas#: 15087-06-6        Compound CID:  16219307

Formula:  C₂₄H₃₂O₉ • Na         Molecular Weight: 487.5

SMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O.[Na]

InChIKey: OMEVKFHIFIXRHB-UHFFFAOYSA-N

InChI: InChI=1S/C24H32O9.Na/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29;/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31);

Cas#: 22610-61-3        Compound CID:  15560610

Formula:  C₂₁H₄₂O₄        Molecular Weight: 358.56

IUPAC Name: [(2S)-2,3-dihydroxypropyl] octadecanoate

SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O

InChIKey: VBICKXHEKHSIBG-FQEVSTJZSA-N

InChI: InChI=1S/C21H42O4/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/h20,22-23H,2-19H2,1H3/t20-/m0/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#: 379669-72-4        Compound CID:  20827003

Formula:  CH₂=CHCH₂CH₂B(OH)₂        Molecular Weight: 99.92

IUPAC Name: but-3-enylboronic acid

SMILES: B(CCC=C)(O)O

InChIKey: WHTULVNQGYJCSG-UHFFFAOYSA-N

InChI: InChI=1S/C4H9BO2/c1-2-3-4-5(6)7/h2,6-7H,1,3-4H2

Cas#: 537-40-6        Compound CID:  5322095

Formula:  C₅₇H₉₈O₆        Molecular Weight: 879.41

IUPAC Name: 2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate

SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC

InChIKey: HBOQXIRUPVQLKX-BBWANDEASA-N

InChI: InChI=1S/C57H98O6/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/h16-21,25-30,54H,4-15,22-24,31-53H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-