5,6,7,8-tetrahydrosarcinapterin

Properties Image MNX_ID MNXM1462 reference chebi:59924 formula C35H48N7O19P global charge -4 mol weight 901.773 InChIKey DOMRFGVDYQUXCH-HXBMNFMZSA-J InChI InChI=1S/C35H52N7O19P/c1-14(25-15(2)38-30-26(40-25)32(53)42-35(36)41-30)37-17-5-3-16(4-6-17)11-19(43)27(49)20(44)12-58-34-29(51)28(50)22(60-34)13-59-62(56,57)61-21(8-10-24(47)48)31(52)39-18(33(54)55)7-9-23(45)46/h3-6,14-15,18-22,25,27-29,34,37,40,43-44,49-51H,7-13H2,1-2H3,(H,39,52)(H,45,46)(H,47,48)(H,54,55)(H,56,57)(H4,36,38,41,42,53)/p-4/t14-,15+,18+,19+,20-,21+,22-,25+,27+,28-,29-,34+/m1/s1 SMILES C[C@@H]1NC2=C(N[C@H]1[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)N[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/C35H52N7O19P/c1-14(25-15(2)38-30-26(40-25)32(53)42-35(36)41-30)37-17-5-3-16(4-6-17)11-19(43)27(49)20(44)12-58-34-29(51)28(50)22(60-34)13-59-62(56,57)61-21(8-10-24(47)48)31(52)39-18(33(54)55)7-9-23(45)46/h3-6,14-15,18-22,25,27-29,34,37,40,43-44,49-51H,7-13H2,1-2H3,(H,39,52)(H,45,46)(H,47,48)(H,54,55)(H,56,57)(H4,36,38,41,42,53)/t14-,15+,18+,19+,20-,21+,22-,25+,27+,28-,29-,34+/m1/s1 SMILES (mnx) [CH3:1][C@H:14]([C@H:25]1[C@H:15]([CH3:2])[NH:38][C:30]2=[C:26]([C:32]([OH:53])=[N:42][C:35](=[NH:36])[NH:41]2)[NH:40]1)[NH:37][C:17]1=[CH:6][CH:4]=[C:16]([CH2:11][C@@H:19]([C@@H:27]([C@@H:20]([CH2:12][O:58][C@@H:34]2[C@H:29]([OH:51])[C@H:28]([OH:50])[C@@H:22]([CH2:13][O:59][P:62]([OH:56])(=[O:57])[O:61][C@@H:21]([CH2:8][CH2:10][C:24](=[O:47])[OH:48])[C:31](=[N:39][C@@H:18]([CH2:7][CH2:9][C:23](=[O:45])[OH:46])[C:33](=[O:54])[OH:55])[OH:52])[O:60]2)[OH:44])[OH:49])[OH:43])[CH:3]=[CH:5]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 22 in models (compartimentalized) 14