Lipids

Cas#: 2764-03-6        Compound CID:  6433346

Formula:  C₂₀H₃₅NO₃        Molecular Weight: 337.5

IUPAC Name: 2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]acetic acid

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

InChIKey: YCRHZEHWEYAHCO-HZJYTTRNSA-N

InChI: InChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h6-7,9-10H,2-5,8,11-18H2,1H3,(H,21,22)(H,23,24)/b7-6-,10-9-

Cas#: 73836-78-9(Ethanol)        Compound CID:  5280878

Formula:  C₂₅H₄₀N₂O₆S        Molecular Weight: 496.66

IUPAC Name: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid

SMILES: CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)N

InChIKey: YEESKJGWJFYOOK-IJHYULJSSA-N

InChI: InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1

Cas#: 15183-37-6        Compound CID:  27125

Formula:  C₁₈H₂₄O₄        Molecular Weight: 304.38

IUPAC Name: (8R,9S,13S,14S,15R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol

SMILES: CC12CCC3C(C1C(C(C2O)O)O)CCC4=C3C=CC(=C4)O

InChIKey: AJIPIJNNOJSSQC-NYLIRDPKSA-N

InChI: InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1

Cas#: 148672-09-7        Compound CID:  127676

Formula:  C₁₈H₂₃NO₄S        Molecular Weight: 349.44

IUPAC Name: [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate

SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)N

InChIKey: RVKFQAJIXCZXQY-CBZIJGRNSA-N

InChI: InChI=1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1

Cas#: 5975-78-0        Compound CID:  108003

Formula:  C₁₈H₂₄O₅        Molecular Weight: 320.38

IUPAC Name: (4S)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione

SMILES: CC1CCCC(=O)CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1

InChIKey: APJDQUGPCJRQRJ-LBPRGKRZSA-N

InChI: InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3/t12-/m0/s1

Cas#: 641-77-0        Compound CID:  92827

Formula:  C₂₁H₃₀O₄        Molecular Weight: 346.46

IUPAC Name: (8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

SMILES: CC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O

InChIKey: LCZBQMKVFQNSJR-UJPCIWJBSA-N

InChI: InChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1

Cas#: 59247-47-1        Compound CID:  11334366

Formula:  C₁₁H₁₃BrO₂        Molecular Weight: 257.12

IUPAC Name: tert-butyl 4-bromobenzoate

SMILES: CC(C)(C)OC(=O)C1=CC=C(C=C1)Br

InChIKey: BFJJYXUCGYOXDM-UHFFFAOYSA-N

InChI: InChI=1S/C11H13BrO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3

Cas#: 56055-54-0        Compound CID:  2782166

Formula:  C₇H₅Cl₂NO₂        Molecular Weight: 206.02

IUPAC Name: methyl 5,6-dichloropyridine-3-carboxylate

SMILES: COC(=O)C1=CC(=C(N=C1)Cl)Cl

InChIKey: HWZINXYBRIQTEJ-UHFFFAOYSA-N

InChI: InChI=1S/C7H5Cl2NO2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3

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#: 161344-84-9        Compound CID:  10978509

Formula:  C₁₂H₂₃BN₂O₄        Molecular Weight: 270.13

IUPAC Name: (4S,5S)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide

SMILES: B1(OC(C(O1)C(=O)N(C)C)C(=O)N(C)C)CCCC

InChIKey: AFQWQRBBIZKYTE-UWVGGRQHSA-N

InChI: InChI=1S/C12H23BN2O4/c1-6-7-8-13-18-9(11(16)14(2)3)10(19-13)12(17)15(4)5/h9-10H,6-8H2,1-5H3/t9-,10-/m0/s1

Cas#: 13042-33-6        Compound CID:  114611

Formula:  C₂₆H₄₃NO₅        Molecular Weight: 449.62

IUPAC Name: 2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid

SMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C

InChIKey: SPOIYSFQOFYOFZ-BRDORRHWSA-N

InChI: InChI=1S/C26H43NO5/c1-15(4-7-23(30)27-14-24(31)32)18-5-6-19-17-13-22(29)21-12-16(28)8-10-26(21,3)20(17)9-11-25(18,19)2/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17+,18-,19+,20+,21+,22+,25-,26-/m1/s1

Cas#: 34227-72-0        Compound CID:  5282310

Formula:  C₃₂H₆₃NO₃       

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

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

InChIKey: ZKRPGPZHULJLKJ-JHRQRACZSA-N

InChI: InChI=1S/C32H63NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,30-31,34-35H,3-24,26,28-29H2,1-2H3,(H,33,36)/b27-25+/t30-,31+/m0/s1