ADP-D-glycero-D-manno-heptose

Properties Image MNX_ID MNXM1107946 reference chebi:16693 formula C17H27N5O16P2 global charge 0 mol weight 619.37 InChIKey KMSFWBYFWSKGGR-RQWOTHMISA-N InChI InChI=1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/t5-,6-,8-,9+,10+,11-,12+,13-,16-,17?/m1/s1 SMILES NC1=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OC4O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1 MNX internals InChI (mnx) InChI=1/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/t5-,6-,8-,9+,10+,11-,12+,13-,16-,17?/m1/s1 SMILES (mnx) [CH2:1]([C@H:5]([C@@H:13]1[C@@H:10]([OH:27])[C@H:9]([OH:26])[C@H:12]([OH:29])[CH:17]([O:37][P:40]([OH:32])(=[O:33])[O:38][P:39]([OH:30])(=[O:31])[O:34][CH2:2][C@@H:6]2[C@@H:8]([OH:25])[C@@H:11]([OH:28])[C@H:16]([N:22]3[CH:4]=[N:21][C:7]4=[C:14]([NH2:18])[N:19]=[CH:3][N:20]=[C:15]43)[O:35]2)[O:36]1)[OH:24])[OH:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 7