2-N-acetyl-alpha-D-glucosaminopyranosyl-(1->3)-2-N-acetyl-6-(5-aminopentyl phosphoryl)-alpha-D-glucosaminopyranosyl-(1->2)-(2R)-3-hydroxypropanoate

Properties Image MNX_ID MNXM150620 reference chebi:74979 formula C22H41N2O17P global charge 0 mol weight 636.541 InChIKey ASPLJUBYBSNNJX-FFYLAZAZSA-N InChI InChI=1S/C22H41N2O17P/c1-10(27)24-14-17(30)15(28)11(7-25)38-21(14)41-19-16(29)13(9-37-42(34,35)36-6-4-2-3-5-23)40-22(18(19)31)39-12(8-26)20(32)33/h11-19,21-22,25-26,28-31H,2-9,23H2,1H3,(H,24,27)(H,32,33)(H,34,35)/t11-,12-,13-,14-,15-,16-,17-,18-,19+,21-,22+/m1/s1 SMILES CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@H](CO)C(=O)O)O[C@H](COP(=O)(O)OCCCCCN)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C22H41N2O17P/c1-10(27)24-14-17(30)15(28)11(7-25)38-21(14)41-19-16(29)13(9-37-42(34,35)36-6-4-2-3-5-23)40-22(18(19)31)39-12(8-26)20(32)33/h11-19,21-22,25-26,28-31H,2-9,23H2,1H3,(H,24,27)(H,32,33)(H,34,35)/t11-,12-,13-,14-,15-,16-,17-,18-,19+,21-,22+/m1/s1 SMILES (mnx) [CH3:1][C:10](=[N:24][C@@H:14]1[C@@H:17]([OH:30])[C@H:15]([OH:28])[C@@H:11]([CH2:7][OH:25])[O:38][C@@H:21]1[O:41][C@H:19]1[C@H:16]([OH:29])[C@@H:13]([CH2:9][O:37][P:42]([OH:34])(=[O:35])[O:36][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][NH2:23])[O:40][C@H:22]([O:39][C@H:12]([CH2:8][OH:26])[C:20](=[O:32])[OH:33])[C@@H:18]1[OH:31])[OH:27]

Parent-child relations graph

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