GDP-D-glycero-alpha-D-manno-heptose

Properties Image MNX_ID MNXM5166 reference chebi:59971 formula C17H25N5O17P2 global charge -2 mol weight 633.353 InChIKey HRUXIQZFNLQZQA-LNASZZQASA-L InChI InChI=1S/C17H27N5O17P2/c18-17-20-13-6(14(30)21-17)19-3-22(13)15-10(28)7(25)5(36-15)2-35-40(31,32)39-41(33,34)38-16-11(29)8(26)9(27)12(37-16)4(24)1-23/h3-5,7-12,15-16,23-29H,1-2H2,(H,31,32)(H,33,34)(H3,18,20,21,30)/p-2/t4-,5-,7-,8+,9+,10-,11+,12-,15-,16-/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@H](O)CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C(=O)N1 MNX internals InChI (mnx) InChI=1/C17H27N5O17P2/c18-17-20-13-6(14(30)21-17)19-3-22(13)15-10(28)7(25)5(36-15)2-35-40(31,32)39-41(33,34)38-16-11(29)8(26)9(27)12(37-16)4(24)1-23/h3-5,7-12,15-16,23-29H,1-2H2,(H,31,32)(H,33,34)(H3,18,20,21,30)/t4-,5-,7-,8+,9+,10-,11+,12-,15-,16-/m1/s1 SMILES (mnx) [CH2:1]([C@H:4]([C@@H:12]1[C@@H:9]([OH:27])[C@H:8]([OH:26])[C@H:11]([OH:29])[C@@H:16]([O:38][P:41]([OH:33])(=[O:34])[O:39][P:40]([OH:31])(=[O:32])[O:35][CH2:2][C@@H:5]2[C@@H:7]([OH:25])[C@@H:10]([OH:28])[C@H:15]([N:22]3[CH:3]=[N:19][C:6]4=[C:13]3[NH:20][C:17](=[NH:18])[N:21]=[C:14]4[OH:30])[O:36]2)[O:37]1)[OH:24])[OH:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 2