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agarotriose

PropertiesImage
MNX_IDMNXM10609 Image of MNXM10609
referencemetacycM:CPD-13432
formulaC18H30O15
global charge0
mol weight486.423
InChIKeyVPMAFOPPEUEPNR-YFARQLEDSA-N
InChIInChI=1S/C18H30O15/c19-1-4-7(21)9(23)10(24)17(30-4)32-13-6-3-28-15(13)12(26)18(31-6)33-14-8(22)5(2-20)29-16(27)11(14)25/h4-27H,1-3H2/t4-,5-,6+,7+,8+,9+,10-,11-,12+,13-,14+,15+,16-,17+,18+/m1/s1
SMILESOC[C@H]1O[C@@H](O[C@H]2[C@H]3OC[C@@H]2O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O)[C@H]3O)[C@H](O)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C18H30O15/c19-1-4-7(21)9(23)10(24)17(30-4)32-13-6-3-28-15(13)12(26)18(31-6)33-14-8(22)5(2-20)29-16(27)11(14)25/h4-27H,1-3H2/t4-,5-,6+,7+,8+,9+,10-,11-,12+,13-,14+,15+,16-,17+,18+/m1/s1 Image of MNXM10609
SMILES (mnx)[CH2:1]([C@@H:4]1[C@H:7]([OH:21])[C@H:9]([OH:23])[C@@H:10]([OH:24])[C@H:17]([O:32][C@@H:13]2[C@@H:6]3[CH2:3][O:28][C@H:15]2[C@H:12]([OH:26])[C@H:18]([O:33][C@H:14]2[C@@H:8]([OH:22])[C@@H:5]([CH2:2][OH:20])[O:29][C@@H:16]([OH:27])[C@@H:11]2[OH:25])[O:31]3)[O:30]1)[OH:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-13432
metacycM:CPD-13432
seed.compound:cpd23869
seedM:cpd23869
VPMAFOPPEUEPNR-YFARQLEDSA-N
agarotriose

kegg.glycan:G09262
keggG:G09262
Agarotriose

keggG:M_G09262
seedM:M_cpd23869
secondary/obsolete/fantasy identifier