dTDP-N-hydroxy-beta-L-evernosamine

Properties Image MNX_ID MNXM1100370 reference chebi:77143 formula C18H29N3O14P2 global charge -2 mol weight 573.385 InChIKey SNTNNQMUKUWPMM-JGQKHYKVSA-L InChI InChI=1S/C18H31N3O14P2/c1-9-7-21(17(24)19-16(9)23)13-5-11(22)12(33-13)8-31-36(26,27)35-37(28,29)34-14-6-18(3,20-25)15(30-4)10(2)32-14/h7,10-15,20,22,25H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,23,24)/p-2/t10-,11-,12+,13+,14+,15-,18-/m0/s1 SMILES CO[C@H]1[C@H](C)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C)C(=O)NC3=O)C[C@@H]2O)C[C@]1(C)NO MNX internals InChI (mnx) InChI=1/C18H31N3O14P2/c1-9-7-21(17(24)19-16(9)23)13-5-11(22)12(33-13)8-31-36(26,27)35-37(28,29)34-14-6-18(3,20-25)15(30-4)10(2)32-14/h7,10-15,20,22,25H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,23,24)/t10-,11-,12+,13+,14+,15-,18-/m0/s1 SMILES (mnx) [CH3:1][C:9]1=[CH:7][N:21]([C@H:13]2[CH2:5][C@H:11]([OH:22])[C@@H:12]([CH2:8][O:31][P:36]([OH:26])(=[O:27])[O:35][P:37]([OH:28])(=[O:29])[O:34][C@@H:14]3[CH2:6][C@:18]([CH3:3])([NH:20][OH:25])[C@@H:15]([O:30][CH3:4])[C@H:10]([CH3:2])[O:32]3)[O:33]2)[C:17](=[O:24])[N:19]=[C:16]1[OH:23]

Parent-child relations graph

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