GDP-alpha-D-perosamine

Properties Image MNX_ID MNXM18025 reference chebi:73996 formula C16H25N6O14P2 global charge -1 mol weight 587.352 InChIKey PMFIPWCEUCAMAY-YVXBHLEUSA-M InChI InChI=1S/C16H26N6O14P2/c1-4-6(17)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)22-3-19-7-12(22)20-16(18)21-13(7)27/h3-6,8-11,14-15,23-26H,2,17H2,1H3,(H,28,29)(H,30,31)(H3,18,20,21,27)/p-1/t4-,5-,6-,8-,9+,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)[C@@H](O)[C@@H]1[NH3+] MNX internals InChI (mnx) InChI=1/C16H26N6O14P2/c1-4-6(17)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)22-3-19-7-12(22)20-16(18)21-13(7)27/h3-6,8-11,14-15,23-26H,2,17H2,1H3,(H,28,29)(H,30,31)(H3,18,20,21,27)/t4-,5-,6-,8-,9+,10-,11+,14-,15-/m1/s1 SMILES (mnx) [CH3:1][C@@H:4]1[C@@H:6]([NH2:17])[C@H:9]([OH:24])[C@H:11]([OH:26])[C@@H:15]([O:35][P:38]([OH:30])(=[O:31])[O:36][P:37]([OH:28])(=[O:29])[O:32][CH2:2][C@@H:5]2[C@@H:8]([OH:23])[C@@H:10]([OH:25])[C@H:14]([N:22]3[CH:3]=[N:19][C:7]4=[C:12]3[NH:20][C:16](=[NH:18])[N:21]=[C:13]4[OH:27])[O:34]2)[O:33]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 1