Lipids

Cas#: 303-43-5        Compound CID:  5283632

Formula:  C₄₅H₇₈O₂        Molecular Weight: 651.1

IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate

SMILES: CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C

InChIKey: RJECHNNFRHZQKU-RMUVNZEASA-N

InChI: InChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1

Cas#: 80307-12-6        Compound CID:  133440

Formula:  C₁₂H₁₂N₂O₆        Molecular Weight: 280.24

IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate

SMILES: C1CC(=O)N(C1=O)OC(=O)CCCN2C(=O)C=CC2=O

InChIKey: PVGATNRYUYNBHO-UHFFFAOYSA-N

InChI: InChI=1S/C12H12N2O6/c15-8-3-4-9(16)13(8)7-1-2-12(19)20-14-10(17)5-6-11(14)18/h3-4H,1-2,5-7H2

Cas#: 50-33-9        Compound CID:  4781

Formula:  C₁₉H₂₀N₂O₂        Molecular Weight: 308.37

IUPAC Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione

SMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

InChIKey: VYMDGNCVAMGZFE-UHFFFAOYSA-N

InChI: InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3

Cas#: 495-02-3        Compound CID:  1550607

Formula:  C₁₉H₂₂O₃        Molecular Weight: 298.38

IUPAC Name: 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one

SMILES: CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C

InChIKey: RSDDHGSKLOSQFK-RVDMUPIBSA-N

InChI: InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+

Cas#: 18437-64-4        Compound CID:  10514065

Formula:  C₁₁H₁₄N₂O₄        Molecular Weight: 238.24

IUPAC Name: tert-butyl N-(3-nitrophenyl)carbamate

SMILES: CC(C)(C)OC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

InChIKey: PGDQPYRGGSHYIT-UHFFFAOYSA-N

InChI: InChI=1S/C11H14N2O4/c1-11(2,3)17-10(14)12-8-5-4-6-9(7-8)13(15)16/h4-7H,1-3H3,(H,12,14)

Cas#: 5119-48-2        Compound CID:  265237

Formula:  C₂₈H₃₈O₆        Molecular Weight: 470.6

IUPAC Name: (1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one

SMILES: CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)CO

InChIKey: DBRXOUCRJQVYJQ-CKNDUULBSA-N

InChI: InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1

Cas#: 69168-45-2        Compound CID:  115189

Formula:  C₂₈H₃₂O₂        Molecular Weight: 400.552

IUPAC Name: 12-pyren-1-yldodecanoic acid

SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCCCCCCCCC(=O)O

InChIKey: JORFLUCVQONOPN-UHFFFAOYSA-N

InChI: InChI=1S/C28H32O2/c29-26(30)14-9-7-5-3-1-2-4-6-8-11-21-15-16-24-18-17-22-12-10-13-23-19-20-25(21)28(24)27(22)23/h10,12-13,15-20H,1-9,11,14H2,(H,29,30)

Cas#: 384835-53-4        Compound CID:  156593867

Formula:  C₅₁H₉₂N₃NaO₁₀PS        Molecular Weight: 993.3

SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)OC(=O)CCCCCCCC=CCCCCCCCC.[Na]

InChIKey: BQZBJHZLJJOUSL-AOAFAMOJSA-N

InChI: InChI=1S/C51H92N3O10PS.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-48(56)61-41-44(64-49(57)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)42-63-65(59,60)62-40-39-52-47(55)36-34-33-35-46-50-45(43-66-46)53-51(58)54-50;/h17-20,44-46,50H,3-16,21-43H2,1-2H3,(H,52,55)(H,59,60)(H2,53,54,58);/b19-17-,20-18-;/t44-,45+,46+,50+;/m1./s1

Cas#: 56472-29-8        Compound CID:  9796304

Formula:  C₁₈H₃₄O₃        Molecular Weight: 298.46

IUPAC Name: (Z)-2-hydroxyoctadec-9-enoic acid

SMILES: CCCCCCCCC=CCCCCCCC(C(=O)O)O

InChIKey: JBSOOFITVPOOSY-KTKRTIGZSA-N

InChI: InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h9-10,17,19H,2-8,11-16H2,1H3,(H,20,21)/b10-9-

Cas#: 177475-60-4       

Formula:  C₇₂H₁₃₀N₂O₃₂        Molecular Weight: 1535.81