C34-carboxyphthiodiolenone

Properties Image MNX_ID MNXM164636 reference metacycM:CPD-18672 formula C34H63O5 global charge -1 mol weight 551.873 InChIKey IVCULXQLDUJYOK-MDGBNMDXSA-M InChI InChI=1S/C34H64O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-31(35)28-32(36)27-24-23-25-29(2)33(37)30(3)34(38)39/h25,30-32,35-36H,4-24,26-28H2,1-3H3,(H,38,39)/p-1/b29-25+/t30?,31-,32-/m1/s1 SMILES CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CCC/C=C(\C)C(=O)C(C)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C34H64O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-31(35)28-32(36)27-24-23-25-29(2)33(37)30(3)34(38)39/h25,30-32,35-36H,4-24,26-28H2,1-3H3,(H,38,39)/b29-25+/t30?,31-,32-/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][CH2:21][CH2:22][CH2:26][C@H:31]([CH2:28][C@@H:32]([CH2:27][CH2:24][CH2:23]/[CH:25]=[C:29](\[CH3:2])[C:33]([CH:30]([CH3:3])[C:34](=[O:38])[OH:39])=[O:37])[OH:36])[OH:35]

Parent-child relations graph

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