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Neoagarotetraose

PropertiesImage
MNX_IDMNXM739040 Image of MNXM739040
referencesabiorkM:27508
formulaC24H38O19
global charge0
mol weight630.549
InChIKeyXASQSRDYYCWSME-DQBQGQHXSA-N
InChIInChI=1S/C24H38O19/c25-1-5-9(27)18(12(30)21(34)37-5)42-24-15(33)20-16(8(40-24)4-36-20)41-23-14(32)19(10(28)6(2-26)38-23)43-22-13(31)17-11(29)7(39-22)3-35-17/h5-34H,1-4H2/t5-,6-,7+,8+,9+,10+,11-,12-,13+,14-,15+,16-,17-,18+,19+,20-,21-,22+,23+,24+/m1/s1
SMILESOC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O[C@@H]2O[C@H]3CO[C@H]([C@@H]2O)[C@@H]3O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H]4CO[C@@H]([C@@H]3O)[C@@H]4O)[C@H]2O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C24H38O19/c25-1-5-9(27)18(12(30)21(34)37-5)42-24-15(33)20-16(8(40-24)4-36-20)41-23-14(32)19(10(28)6(2-26)38-23)43-22-13(31)17-11(29)7(39-22)3-35-17/h5-34H,1-4H2/t5-,6-,7+,8+,9+,10+,11-,12-,13+,14-,15+,16-,17-,18+,19+,20-,21-,22+,23+,24+/m1/s1 Image of MNXM739040
SMILES (mnx)[CH2:1]([C@@H:5]1[C@H:9]([OH:27])[C@H:18]([O:42][C@H:24]2[C@@H:15]([OH:33])[C@@H:20]3[C@H:16]([O:41][C@H:23]4[C@H:14]([OH:32])[C@@H:19]([O:43][C@H:22]5[C@@H:13]([OH:31])[C@H:17]6[C@H:11]([OH:29])[C@H:7]([CH2:3][O:35]6)[O:39]5)[C@@H:10]([OH:28])[C@@H:6]([CH2:2][OH:26])[O:38]4)[C@H:8]([CH2:4][O:36]3)[O:40]2)[C@@H:12]([OH:30])[C@H:21]([OH:34])[O:37]1)[OH:25]
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:27508
sabiorkM:27508
XASQSRDYYCWSME-DQBQGQHXSA-N
Neoagarotetraose