GDP-alpha-D-mannuronate

Properties Image MNX_ID MNXM732694 reference chebi:84886 formula C16H20N5O17P2 global charge -3 mol weight 616.302 InChIKey DNBSDUDYNPJVCN-ZXTXFPBHSA-K InChI InChI=1S/C16H23N5O17P2/c17-16-19-11-4(12(27)20-16)18-2-21(11)13-8(25)5(22)3(35-13)1-34-39(30,31)38-40(32,33)37-15-9(26)6(23)7(24)10(36-15)14(28)29/h2-3,5-10,13,15,22-26H,1H2,(H,28,29)(H,30,31)(H,32,33)(H3,17,19,20,27)/p-3/t3-,5-,6+,7+,8-,9+,10+,13-,15-/m1/s1 SMILES NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C(=O)N1 MNX internals InChI (mnx) InChI=1/C16H23N5O17P2/c17-16-19-11-4(12(27)20-16)18-2-21(11)13-8(25)5(22)3(35-13)1-34-39(30,31)38-40(32,33)37-15-9(26)6(23)7(24)10(36-15)14(28)29/h2-3,5-10,13,15,22-26H,1H2,(H,28,29)(H,30,31)(H,32,33)(H3,17,19,20,27)/t3-,5-,6+,7+,8-,9+,10+,13-,15-/m1/s1 SMILES (mnx) [CH2:1]([C@@H:3]1[C@@H:5]([OH:22])[C@@H:8]([OH:25])[C@H:13]([N:21]2[CH:2]=[N:18][C:4]3=[C:11]2[NH:19][C:16](=[NH:17])[N:20]=[C:12]3[OH:27])[O:35]1)[O:34][P:39]([OH:30])(=[O:31])[O:38][P:40]([OH:32])(=[O:33])[O:37][C@@H:15]1[C@@H:9]([OH:26])[C@@H:6]([OH:23])[C@H:7]([OH:24])[C@@H:10]([C:14](=[O:28])[OH:29])[O:36]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 8 in models (compartimentalized) 4