methanofuran

Properties Image MNX_ID MNXM162764 reference chebi:58151 formula C34H40N4O15 global charge -4 mol weight 744.707 InChIKey CKRUWFDORAQSRC-QYOOZWMWSA-J InChI InChI=1S/C34H44N4O15/c35-16-22-15-20(18-53-22)17-52-21-3-1-19(2-4-21)13-14-36-27(39)10-7-25(33(48)49)38-29(41)11-8-26(34(50)51)37-28(40)9-5-23(31(44)45)24(32(46)47)6-12-30(42)43/h1-4,15,18,23-26H,5-14,16-17,35H2,(H,36,39)(H,37,40)(H,38,41)(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/p-4/t23-,24+,25-,26-/m0/s1 SMILES [NH3+]CC1=CC(COC2=CC=C(CCNC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@H](C(=O)[O-])[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C=C2)=CO1 MNX internals InChI (mnx) InChI=1/C34H44N4O15/c35-16-22-15-20(18-53-22)17-52-21-3-1-19(2-4-21)13-14-36-27(39)10-7-25(33(48)49)38-29(41)11-8-26(34(50)51)37-28(40)9-5-23(31(44)45)24(32(46)47)6-12-30(42)43/h1-4,15,18,23-26H,5-14,16-17,35H2,(H,36,39)(H,37,40)(H,38,41)(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/t23-,24+,25-,26-/m0/s1 SMILES (mnx) [CH:1]1=[CH:3][C:21]([O:52][CH2:17][C:20]2=[CH:18][O:53][C:22]([CH2:16][NH2:35])=[CH:15]2)=[CH:4][CH:2]=[C:19]1[CH2:13][CH2:14][N:36]=[C:27]([CH2:10][CH2:7][C@@H:25]([C:33](=[O:48])[OH:49])[N:38]=[C:29]([CH2:11][CH2:8][C@@H:26]([C:34](=[O:50])[OH:51])[N:37]=[C:28]([CH2:9][CH2:5][C@@H:23]([C@@H:24]([CH2:6][CH2:12][C:30](=[O:42])[OH:43])[C:32](=[O:46])[OH:47])[C:31](=[O:44])[OH:45])[OH:40])[OH:41])[OH:39]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 8 in models (compartimentalized) 6