3-[(2R)-3,5-dioxo-4-[(2E.4S,6S,8E,10E,12E)-4,6,12-trimethyltetradeca-2,8,10,12-tetraenoyl]pyrrolidin-2-yl]-2-hydroxy-2-methylpropanoate

Properties Image MNX_ID MNXM1106919 reference seedM:cpd35608 formula C25H33NO6 global charge -2 mol weight 443.54 InChIKey DEMRIVQPXRVYOB-AJCFODDPSA-L InChI InChI=1S/C25H35NO6/c1-6-16(2)10-8-7-9-11-17(3)14-18(4)12-13-20(27)21-22(28)19(26-23(21)29)15-25(5,32)24(30)31/h6-10,12-13,17-19,28,32H,11,14-15H2,1-5H3,(H,26,29)(H,30,31)/p-2/b9-7+,10-8+,13-12+,16-6+/t17-,18+,19+,25?/m0/s1 SMILES C/C=C(C)/C=C/C=C/C[C@H](C)C[C@H](C)/C=C/C(=O)C1=C([O-])[C@@H](CC(C)(O)C(=O)[O-])NC1=O MNX internals InChI (mnx) InChI=1/C25H35NO6/c1-6-16(2)10-8-7-9-11-17(3)14-18(4)12-13-20(27)21-22(28)19(26-23(21)29)15-25(5,32)24(30)31/h6-10,12-13,17-19,28,32H,11,14-15H2,1-5H3,(H,26,29)(H,30,31)/b9-7+,10-8+,13-12+,16-6+/t17-,18+,19+,25?/m0/s1 SMILES (mnx) [CH3:1]/[CH:6]=[C:16]([CH3:2])/[CH:10]=[CH:8]/[CH:7]=[CH:9]/[CH2:11][C@H:17]([CH3:3])[CH2:14][C@H:18]([CH3:4])/[CH:12]=[CH:13]/[C:20]([C:21]1=[C:22]([OH:28])[C@@H:19]([CH2:15][C:25]([CH3:5])([C:24](=[O:30])[OH:31])[OH:32])[N:26]=[C:23]1[OH:29])=[O:27]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0