CMP-3-deoxy-beta-D-manno-octulosonate

Properties Image MNX_ID MNXM1364525 reference chebi:85987 formula C17H24N3O15P global charge -2 mol weight 541.359 InChIKey YWWJKULNWGRYAS-UOVSKDHASA-L InChI InChI=1S/C17H26N3O15P/c18-9-1-2-20(16(29)19-9)14-12(26)11(25)8(33-14)5-32-36(30,31)35-17(15(27)28)3-6(22)10(24)13(34-17)7(23)4-21/h1-2,6-8,10-14,21-26H,3-5H2,(H,27,28)(H,30,31)(H2,18,19,29)/p-2/t6-,7-,8-,10-,11-,12-,13-,14-,17-/m1/s1 SMILES NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])O[C@@]3(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O)[C@H]2O)C=C1 MNX internals InChI (mnx) InChI=1/C17H26N3O15P/c18-9-1-2-20(16(29)19-9)14-12(26)11(25)8(33-14)5-32-36(30,31)35-17(15(27)28)3-6(22)10(24)13(34-17)7(23)4-21/h1-2,6-8,10-14,21-26H,3-5H2,(H,27,28)(H,30,31)(H2,18,19,29)/t6-,7-,8-,10-,11-,12-,13-,14-,17-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][N:20]([C@H:14]2[C@H:12]([OH:26])[C@H:11]([OH:25])[C@@H:8]([CH2:5][O:32][P:36]([OH:30])(=[O:31])[O:35][C@@:17]3([C:15](=[O:27])[OH:28])[CH2:3][C@@H:6]([OH:22])[C@@H:10]([OH:24])[C@@H:13]([C@@H:7]([CH2:4][OH:21])[OH:23])[O:34]3)[O:33]2)[C:16]([OH:29])=[N:19][C:9]1=[NH:18]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 24 in models (compartimentalized) 10