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Isomaltohexaose

PropertiesImage
MNX_IDMNXM164848 Image of MNXM164848
referencesabiorkM:25549
formulaC36H62O31
global charge0
mol weight990.861
InChIKeyOITCGTKWORAONZ-UUCUGTBWSA-N
InChIInChI=1S/C36H62O31/c37-1-8(39)15(41)16(42)9(40)3-58-32-28(54)23(49)18(44)11(64-32)5-60-34-30(56)25(51)20(46)13(66-34)7-62-36-31(57)26(52)21(47)14(67-36)6-61-35-29(55)24(50)19(45)12(65-35)4-59-33-27(53)22(48)17(43)10(2-38)63-33/h1,8-36,38-57H,2-7H2/t8-,9+,10+,11+,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23-,24-,25-,26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-/m0/s1
SMILESO=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C36H62O31/c37-1-8(39)15(41)16(42)9(40)3-58-32-28(54)23(49)18(44)11(64-32)5-60-34-30(56)25(51)20(46)13(66-34)7-62-36-31(57)26(52)21(47)14(67-36)6-61-35-29(55)24(50)19(45)12(65-35)4-59-33-27(53)22(48)17(43)10(2-38)63-33/h1,8-36,38-57H,2-7H2/t8-,9+,10+,11+,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23-,24-,25-,26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-/m0/s1 Image of MNXM164848
SMILES (mnx)[CH:1]([C@@H:8]([C@H:15]([C@@H:16]([C@@H:9]([CH2:3][O:58][C@@H:32]1[C@H:28]([OH:54])[C@@H:23]([OH:49])[C@H:18]([OH:44])[C@@H:11]([CH2:5][O:60][C@@H:34]2[C@H:30]([OH:56])[C@@H:25]([OH:51])[C@H:20]([OH:46])[C@@H:13]([CH2:7][O:62][C@@H:36]3[C@H:31]([OH:57])[C@@H:26]([OH:52])[C@H:21]([OH:47])[C@@H:14]([CH2:6][O:61][C@@H:35]4[C@H:29]([OH:55])[C@@H:24]([OH:50])[C@H:19]([OH:45])[C@@H:12]([CH2:4][O:59][C@@H:33]5[C@H:27]([OH:53])[C@@H:22]([OH:48])[C@H:17]([OH:43])[C@@H:10]([CH2:2][OH:38])[O:63]5)[O:65]4)[O:67]3)[O:66]2)[O:64]1)[OH:40])[OH:42])[OH:41])[OH:39])=[O:37]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

sabiork.compound:25549
sabiorkM:25549
OITCGTKWORAONZ-UUCUGTBWSA-N
Isomaltohexaose