GDP-4-dehydro-3,6-dideoxy-alpha-D-mannose

Properties Image MNX_ID MNXM11650 reference chebi:73931 formula C16H21N5O14P2 global charge -2 mol weight 569.313 InChIKey ACAXSHCRYZSKNE-FFJBUIDMSA-L InChI InChI=1S/C16H23N5O14P2/c1-5-6(22)2-7(23)15(32-5)34-37(29,30)35-36(27,28)31-3-8-10(24)11(25)14(33-8)21-4-18-9-12(21)19-16(17)20-13(9)26/h4-5,7-8,10-11,14-15,23-25H,2-3H2,1H3,(H,27,28)(H,29,30)(H3,17,19,20,26)/p-2/t5-,7+,8-,10-,11-,14-,15-/m1/s1 SMILES C[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=C(N)NC4=O)[C@H](O)[C@@H]2O)[C@@H](O)CC1=O MNX internals InChI (mnx) InChI=1/C16H23N5O14P2/c1-5-6(22)2-7(23)15(32-5)34-37(29,30)35-36(27,28)31-3-8-10(24)11(25)14(33-8)21-4-18-9-12(21)19-16(17)20-13(9)26/h4-5,7-8,10-11,14-15,23-25H,2-3H2,1H3,(H,27,28)(H,29,30)(H3,17,19,20,26)/t5-,7+,8-,10-,11-,14-,15-/m1/s1 SMILES (mnx) [CH3:1][C@@H:5]1[C:6](=[O:22])[CH2:2][C@H:7]([OH:23])[C@@H:15]([O:34][P:37]([OH:29])(=[O:30])[O:35][P:36]([OH:27])(=[O:28])[O:31][CH2:3][C@@H:8]2[C@@H:10]([OH:24])[C@@H:11]([OH:25])[C@H:14]([N:21]3[CH:4]=[N:18][C:9]4=[C:12]3[NH:19][C:16](=[NH:17])[N:20]=[C:13]4[OH:26])[O:33]2)[O:32]1

Parent-child relations graph

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