C32-carboxyphthiodiolenone

Properties Image MNX_ID MNXM164630 reference metacycM:CPD-18673 formula C32H59O5 global charge -1 mol weight 523.819 InChIKey ICMCENBETJTZTD-HFKTZVCVSA-M InChI InChI=1S/C32H60O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29(33)26-30(34)25-22-21-23-27(2)31(35)28(3)32(36)37/h23,28-30,33-34H,4-22,24-26H2,1-3H3,(H,36,37)/p-1/b27-23+/t28?,29-,30-/m1/s1 SMILES CCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CCC/C=C(\C)C(=O)C(C)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C32H60O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29(33)26-30(34)25-22-21-23-27(2)31(35)28(3)32(36)37/h23,28-30,33-34H,4-22,24-26H2,1-3H3,(H,36,37)/b27-23+/t28?,29-,30-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:24][C@H:29]([CH2:26][C@@H:30]([CH2:25][CH2:22][CH2:21]/[CH:23]=[C:27](\[CH3:2])[C:31]([CH:28]([CH3:3])[C:32](=[O:36])[OH:37])=[O:35])[OH:34])[OH:33]

Parent-child relations graph

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