7,8-dihydromethanopterin

Properties Image MNX_ID MNXM3586 reference chebi:72788 formula C30H40N6O16P global charge -3 mol weight 771.65 InChIKey WTMBWYHMZCVPRJ-WJBIZLLUSA-K InChI InChI=1S/C30H43N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12-13,16-19,23-25,29,32,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H4,31,33,35,36,44)/p-3/t12-,13+,16+,17-,18+,19-,23+,24-,25-,29+/m1/s1 SMILES C[C@@H]1NC2=C(N=C1[C@@H](C)NC1=CC=C(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]3O[C@H](COP(=O)([O-])O[C@@H](CCC(=O)[O-])C(=O)[O-])[C@@H](O)[C@H]3O)C=C1)C(=O)NC(N)=N2 MNX internals InChI (mnx) InChI=1/C30H43N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12-13,16-19,23-25,29,32,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H4,31,33,35,36,44)/t12-,13+,16+,17-,18+,19-,23+,24-,25-,29+/m1/s1 SMILES (mnx) [CH3:1][C@H:12]([C:21]1=[N:34][C:22]2=[C:26]([NH:33][C@H:13]1[CH3:2])[NH:35][C:30](=[NH:31])[N:36]=[C:27]2[OH:44])[NH:32][C:15]1=[CH:6][CH:4]=[C:14]([CH2:9][C@@H:16]([C@@H:23]([C@@H:17]([CH2:10][O:49][C@@H:29]2[C@H:25]([OH:43])[C@H:24]([OH:42])[C@@H:19]([CH2:11][O:50][P:53]([OH:47])(=[O:48])[O:52][C@@H:18]([CH2:7][CH2:8][C:20](=[O:39])[OH:40])[C:28](=[O:45])[OH:46])[O:51]2)[OH:38])[OH:41])[OH:37])[CH:3]=[CH:5]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 14 in models (compartimentalized) 4