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p-Nitrophenylmaltotetraoside

PropertiesImage
MNX_IDMNXM168806 Image of MNXM168806
referencesabiorkM:27944
formulaC30H45NO23
global charge0
mol weight787.674
InChIKeyNPSLEEASXYBLOE-RVXWVMNCSA-N
InChIInChI=1S/C30H45NO23/c32-5-11-15(36)16(37)20(41)28(48-11)52-25-13(7-34)50-30(22(43)18(25)39)54-26-14(8-35)51-29(23(44)19(26)40)53-24-12(6-33)49-27(21(42)17(24)38)47-10-3-1-9(2-4-10)31(45)46/h1-4,11-30,32-44H,5-8H2/t11-,12-,13-,14-,15-,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30-/m1/s1
SMILESO=[N+]([O-])C1=CC=C(O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)C=C1
MNX internals
InChI (mnx)InChI=1/C30H45NO23/c32-5-11-15(36)16(37)20(41)28(48-11)52-25-13(7-34)50-30(22(43)18(25)39)54-26-14(8-35)51-29(23(44)19(26)40)53-24-12(6-33)49-27(21(42)17(24)38)47-10-3-1-9(2-4-10)31(45)46/h1-4,11-30,32-44H,5-8H2/t11-,12-,13-,14-,15-,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30-/m1/s1 Image of MNXM168806
SMILES (mnx)[CH:1]1=[CH:3][C:10]([O:47][C@@H:27]2[C@H:21]([OH:42])[C@@H:17]([OH:38])[C@H:24]([O:53][C@@H:29]3[C@H:23]([OH:44])[C@@H:19]([OH:40])[C@H:26]([O:54][C@@H:30]4[C@H:22]([OH:43])[C@@H:18]([OH:39])[C@H:25]([O:52][C@@H:28]5[C@H:20]([OH:41])[C@@H:16]([OH:37])[C@H:15]([OH:36])[C@@H:11]([CH2:5][OH:32])[O:48]5)[C@@H:13]([CH2:7][OH:34])[O:50]4)[C@@H:14]([CH2:8][OH:35])[O:51]3)[C@@H:12]([CH2:6][OH:33])[O:49]2)=[CH:4][CH:2]=[C:9]1[N+:31]([O-:45])=[O:46]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

sabiork.compound:27944
sabiorkM:27944
NPSLEEASXYBLOE-RVXWVMNCSA-N
p-Nitrophenylmaltotetraoside