Lipids

Cas#: 144092-28-4        Compound CID:  16131039

Formula:  C₁₃₉H₂₂₄N₃₈O₃₂S        Molecular Weight: 2971.57

SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)N

Cas#: 2247753-10-0        Compound CID:  155859196

Formula:  C₄₃H₈₃N₂O₈P        Molecular Weight: 787.12

IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-6-[[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-5-[[(2S)-3-carboxy-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

SMILES: CC1CC=NC1C(=O)NCCCCC(C(=O)N2CCCC2C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)O)NC(=O)C(CC(=O)O)N

InChIKey: GXNVUPVJPFTBLU-SXGYBMSWSA-N

InChI: InChI=1S/C37H55N9O17/c1-17-10-12-39-29(17)35(60)40-11-4-3-6-21(43-30(55)19(38)14-26(49)50)36(61)46-13-5-7-24(46)34(59)45-23(16-28(53)54)33(58)42-20(8-9-25(47)48)31(56)44-22(15-27(51)52)32(57)41-18(2)37(62)63/h12,17-24,29H,3-11,13-16,38H2,1-2H3,(H,40,60)(H,41,57)(H,42,58)(H,43,55)(H,44,56)(H,45,59)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,62,63)/t17-,18+,19+,20+,21+,22+,23+,24+,29-/m1/s1

Cas#: 86227-47-6        Compound CID:  9831415

Formula:  C₂₂H₃₄O₂        Molecular Weight: 330.51

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

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

InChIKey: SSQPWTVBQMWLSZ-AAQCHOMXSA-N

InChI: InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-

Cas#: 111-61-5        Compound CID:  8122

Formula:  CH₃(CH₂)₁₆COOC₂H₅        Molecular Weight: 312.53

IUPAC Name: ethyl octadecanoate

SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC

InChIKey: MVLVMROFTAUDAG-UHFFFAOYSA-N

InChI: InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3

Cas#: 60395-85-9        Compound CID:  4737230

Formula:  C₁₁H₉BrO₄        Molecular Weight: 285.09

IUPAC Name: methyl 4-(4-bromophenyl)-2,4-dioxobutanoate

SMILES: COC(=O)C(=O)CC(=O)C1=CC=C(C=C1)Br

InChIKey: JLRNIIRSSQRNJQ-UHFFFAOYSA-N

InChI: InChI=1S/C11H9BrO4/c1-16-11(15)10(14)6-9(13)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3

Cas#: 57-88-5       

Formula:  C₂₇H₄₆O        Molecular Weight: 386.65

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-ol

SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]4(C)[C@H](CC[C@@]24[H])[C@H](C)CCCC(C)C

InChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-N

InChI: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1