Lipids

Cas#: 136790-76-6        Compound CID:  157920

Formula:  C₂₀H₃₂F₂O₅        Molecular Weight: 390.46

IUPAC Name: 7-[(2R,4aR,5R,7aR)-2-(1,1-difluoropentyl)-2-hydroxy-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]heptanoic acid

SMILES: CCCCC(C1(CCC2C(O1)CC(=O)C2CCCCCCC(=O)O)O)(F)F

InChIKey: WGFOBBZOWHGYQH-MXHNKVEKSA-N

InChI: InChI=1S/C20H32F2O5/c1-2-3-11-19(21,22)20(26)12-10-15-14(16(23)13-17(15)27-20)8-6-4-5-7-9-18(24)25/h14-15,17,26H,2-13H2,1H3,(H,24,25)/t14-,15-,17-,20-/m1/s1

Cas#: 5966-28-9        Compound CID:  5283563

Formula:  C₃₆H₆₉NO₃        Molecular Weight: 563.938

IUPAC Name: (Z)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]octadec-9-enamide

SMILES: CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCC=CCCCCCCCC)O

InChIKey: OBFSLMQLPNKVRW-RHPAUOISSA-N

InChI: InChI=1S/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,34-35,38-39H,3-16,19-28,30,32-33H2,1-2H3,(H,37,40)/b18-17-,31-29+/t34-,35+/m0/s1

Cas#: 145774-33-0        Compound CID:  6610274

Formula:  C₂₆H₅₃NO₃        Molecular Weight: 427.7

IUPAC Name: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octanamide

SMILES: CCCCCCCCCCCCCCCC(C(CO)NC(=O)CCCCCCC)O

InChIKey: LGOFBZUQIUVJFS-LOSJGSFVSA-N

InChI: InChI=1S/C26H53NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(29)24(23-28)27-26(30)22-20-17-8-6-4-2/h24-25,28-29H,3-23H2,1-2H3,(H,27,30)/t24-,25+/m0/s1

Cas#: 1158347-73-9        Compound CID:  44138050

Formula:  C₂₅H₂₇N₅O₂        Molecular Weight: 429.5

IUPAC Name: N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoline-3-carboxamide

SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCNC(=O)C4=CC5=CC=CC=C5N=C4

InChIKey: WJOCDBUFEUKYNI-UHFFFAOYSA-N

InChI: InChI=1S/C25H27N5O2/c31-23(20-16-19-6-4-5-9-22(19)27-17-20)26-12-15-29-13-10-25(11-14-29)24(32)28-18-30(25)21-7-2-1-3-8-21/h1-9,16-17H,10-15,18H2,(H,26,31)(H,28,32)

Cas#: 479050-96-9        Compound CID:  69757690

Formula:  C₂₂H₄₁NO₃        Molecular Weight: 367.6

IUPAC Name: N-[(3S)-2-oxooxolan-3-yl]octadecanamide

SMILES: CCCCCCCCCCCCCCCCCC(=O)NC1CCOC1=O

InChIKey: HGMDJDYXARRSKB-FQEVSTJZSA-N

InChI: InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-20-18-19-26-22(20)25/h20H,2-19H2,1H3,(H,23,24)/t20-/m0/s1

Cas#: 60037-60-7        Compound CID:  44260127

Formula:  C₄₇H₉₅N₂O₆P        Molecular Weight: 815.24

IUPAC Name: [(E,2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(C=CCCCCCCCCCCCCC)O

InChIKey: QEDPUVGSSDPBMD-XTAIVQBESA-N

InChI: InChI=1S/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h38,40,45-46,50H,6-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b40-38+/t45-,46+/m0/s1

Cas#: 74713-60-3        Compound CID:  5283562

Formula:  C₃₀H₅₉NO₃        Molecular Weight: 481.794

IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]dodecanamide

SMILES: CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCC)O

InChIKey: HXFPPRPLRSPNIB-VARSQMIESA-N

InChI: InChI=1S/C30H59NO3/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(33)28(27-32)31-30(34)26-24-22-20-17-12-10-8-6-4-2/h23,25,28-29,32-33H,3-22,24,26-27H2,1-2H3,(H,31,34)/b25-23+/t28-,29+/m0/s1

Cas#: 87206-01-7        Compound CID:  11609787

Formula:  C₂₀H₃₇NO₃        Molecular Weight: 339.5

IUPAC Name: N-[(3S)-2-oxooxolan-3-yl]hexadecanamide

SMILES: CCCCCCCCCCCCCCCC(=O)NC1CCOC1=O

InChIKey: QJIXVOQAEZMUIH-SFHVURJKSA-N

InChI: InChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-18-16-17-24-20(18)23/h18H,2-17H2,1H3,(H,21,22)/t18-/m0/s1

Cas#: 67492-16-4       

Formula:  C₃₅H₆₉NO₃        Molecular Weight: 551.93

IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]heptadecanamide

SMILES: CCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O

InChIKey: ICWGMOFDULMCFL-QKSCFGQVSA-N

InChI: InChI=1S/C35H69NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(39)36-33(32-37)34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h28,30,33-34,37-38H,3-27,29,31-32H2,1-2H3,(H,36,39)/b30-28+/t33-,34+/m0/s1

Cas#: 7698-93-3        Compound CID:  66440

Formula:  C₂₂H₂₈O₅        Molecular Weight: 372.46

IUPAC Name: 4-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid

SMILES: CC12CCC3C(C1CCC2OC(=O)CCC(=O)O)CCC4=C3C=CC(=C4)O

InChIKey: YJPIDPAGJSWWBE-FNIAAEIWSA-N

InChI: InChI=1S/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17-,18+,19+,22+/m1/s1

Cas#: 208174-14-5        Compound CID:  46781642

Formula:  C₂₂H₂₇ClN₄O₄        Molecular Weight: 446.93

IUPAC Name: (2S)-6-(diaminomethylideneamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;hydrochloride

SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCCCN=C(N)N)C(=O)O.Cl

InChIKey: CIHMGZUUYMRKGJ-FYZYNONXSA-N

InChI: InChI=1S/C22H26N4O4.ClH/c23-21(24)25-12-6-5-11-19(20(27)28)26-22(29)30-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18;/h1-4,7-10,18-19H,5-6,11-13H2,(H,26,29)(H,27,28)(H4,23,24,25);1H/t19-;/m0./s1

Cas#: 302577-73-7        Compound CID:  44226739

Formula:  C₁₁H₂₁BO₄        Molecular Weight: 228.09

IUPAC Name: ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate

SMILES: B1(OC(C(O1)(C)C)(C)C)CCC(=O)OCC

InChIKey: OSBBNOTZLRIDPR-UHFFFAOYSA-N

InChI: InChI=1S/C11H21BO4/c1-6-14-9(13)7-8-12-15-10(2,3)11(4,5)16-12/h6-8H2,1-5H3