13E-tetranor-16-carboxy-LTE4

Properties Image MNX_ID MNXM739708 reference biggM:CE6229 formula C19H25NO7S global charge -2 mol weight 411.476 InChIKey MAFGRSDWXFSHMK-SRKAIYCDSA-L InChI InChI=1S/C19H27NO7S/c20-14(19(26)27)13-28-16(15(21)9-8-12-18(24)25)10-6-4-2-1-3-5-7-11-17(22)23/h1-7,10,14-16,21H,8-9,11-13,20H2,(H,22,23)(H,24,25)(H,26,27)/p-2/b3-1-,4-2+,7-5+,10-6+/t14-,15+,16-/m1/s1 SMILES [NH3+][C@H](CS[C@H](/C=C/C=C/C=C\C=C\CC(=O)[O-])[C@@H](O)CCCC(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C19H27NO7S/c20-14(19(26)27)13-28-16(15(21)9-8-12-18(24)25)10-6-4-2-1-3-5-7-11-17(22)23/h1-7,10,14-16,21H,8-9,11-13,20H2,(H,22,23)(H,24,25)(H,26,27)/b3-1-,4-2+,7-5+,10-6+/t14-,15+,16-/m1/s1 SMILES (mnx) [CH:1](/[CH:2]=[CH:4]/[CH:6]=[CH:10]/[C@H:16]([C@H:15]([CH2:9][CH2:8][CH2:12][C:18](=[O:24])[OH:25])[OH:21])[S:28][CH2:13][C@H:14]([C:19](=[O:26])[OH:27])[NH2:20])=[CH:3]/[CH:5]=[CH:7]/[CH2:11][C:17](=[O:22])[OH:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 1