(7S,17S)-17-hydroxy-7-hydroperoxydocosahexaenoate

Properties Image MNX_ID MNXM114470 reference metacycM:CPD66-76 formula C22H31O5 global charge -1 mol weight 375.485 InChIKey CEMNNVWBEJGCOI-XGTWDWJNSA-M InChI InChI=1S/C22H32O5/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(27-26)18-13-9-14-19-22(24)25/h3,5-13,16-17,20-21,23,26H,2,4,14-15,18-19H2,1H3,(H,24,25)/p-1/b7-5-,8-6-,10-3-,13-9-,16-11+,17-12+/t20-,21+/m0/s1 SMILES CC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C=C\[C@H](C/C=C\CCC(=O)[O-])OO MNX internals InChI (mnx) InChI=1/C22H32O5/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(27-26)18-13-9-14-19-22(24)25/h3,5-13,16-17,20-21,23,26H,2,4,14-15,18-19H2,1H3,(H,24,25)/b7-5-,8-6-,10-3-,13-9-,16-11+,17-12+/t20-,21+/m0/s1 SMILES (mnx) [CH3:1][CH2:2]/[CH:3]=[CH:10]\[CH2:15][C@@H:20](/[CH:16]=[CH:11]/[CH:7]=[CH:5]\[CH2:4]/[CH:6]=[CH:8]\[CH:12]=[CH:17]\[C@H:21]([CH2:18]/[CH:13]=[CH:9]\[CH2:14][CH2:19][C:22](=[O:24])[OH:25])[O:27][OH:26])[OH:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0