15-dehydro-prostaglandin B1

Properties Image MNX_ID MNXM1132192 reference metacycM:CPD-22744 formula C20H29O4 global charge -1 mol weight 333.448 InChIKey NCXBAFRWWQVEJY-WYMLVPIESA-M InChI InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14H,2-11,13,15H2,1H3,(H,23,24)/p-1/b14-12+ SMILES CCCCCC(=O)/C=C/C1=C(CCCCCCC(=O)[O-])C(=O)CC1 MNX internals InChI (mnx) InChI=1/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14H,2-11,13,15H2,1H3,(H,23,24)/b14-12+ SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:6][CH2:9][C:17](/[CH:14]=[CH:12]/[C:16]1=[C:18]([CH2:10][CH2:7][CH2:4][CH2:5][CH2:8][CH2:11][C:20](=[O:23])[OH:24])[C:19](=[O:22])[CH2:15][CH2:13]1)=[O:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0