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CHEBI:37168 - ι-carrageenan

ChEBI IDCHEBI:37168
ChEBI Nameι-carrageenan
Stars
ASCII Nameiota-carrageenan
Last Modified20 February 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
Formula(C12H16O15S2)n.C12H18O16S2
Net Charge-4
Average Mass946.773
Monoisotopic Mass945.99888
SMILES[H][C@@]12OC[C@@]([H])(O[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@@H]4[C@]5([H])OC[C@@]4([H])O[C@H](O)[C@@H]5OS(=O)(=O)[O-])O[C@H](CO)[C@@H]3OS(=O)(=O)[O-])[C@@H]1OS(=O)(=O)[O-])[C@@H]2O[C@@H]1O[C@H](CO)[C@H](OS(=O)(=O)[O-])[C@H](O)[C@H]1O
InChIInChI=1S/C24H38O31S4/c25-1-5-12(52-56(31,32)33)9(27)10(28)22(46-5)49-14-8-4-44-18(14)20(55-59(40,41)42)24(48-8)51-16-11(29)23(47-6(2-26)15(16)53-57(34,35)36)50-13-7-3-43-17(13)19(21(30)45-7)54-58(37,38)39/h5-30H,1-4H2,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)/p-4/t5-,6-,7-,8-,9-,10-,11-,12+,13+,14+,15+,16-,17+,18+,19-,20-,21+,22+,23+,24-/m1/s1
InChIKeyQIDSWKFAPCTSKL-RRQHLKGPSA-J
Roles Classification
Biological Role:
algal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
ChEBI Ontology
Outgoing Relation(s)
ι-carrageenan (CHEBI:37168) is a carrageenan (CHEBI:3435)
IUPAC Name 
(1→4)-3,6-anhydro-2-O-sulfonato-α-D-galactopyranosyl-(1→3)-4-O-sulfonato-β-D-galactopyranan
Registry NumbersSources
Beilstein:9964333Beilstein
CAS:9062-07-1ChemIDplus