CHEBI:153693 - (2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(2R,3R,4R,5R,6S)-6-hydroxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxane-2-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(2R,3R,4R,5R,6S)-6-hydroxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxane-2-carboxylic acid
ChEBI ID CHEBI:153693
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C12H21NO20S3
Net Charge 0
Average Mass 595.470
Monoisotopic Mass 594.98191
InChI InChI=1S/C12H21NO20S3/c14-4-5(15)9(10(17)18)32-12(6(4)16)31-7-2(1-29-35(23,24)25)30-11(19)3(13-34(20,21)22)8(7)33-36(26,27)28/h2-9,11-16,19H,1H2,(H,17,18)(H,20,21,22)(H,23,24,25)(H,26,27,28)/t2-,3-,4+,5+,6-,7-,8-,9-,11+,12-/m1/s1
InChIKey MBNHCYDZEHBTFN-UVTRRXGKSA-N
SMILES S(O)(=O)(=O)N[C@@H]1[C@@H](OS(O)(=O)=O)[C@H](O[C@@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O[C@@H]1O)COS(O)(=O)=O
ChEBI Ontology
Outgoing (2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(2R,3R,4R,5R,6S)-6-hydroxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxane-2-carboxylic acid (CHEBI:153693) is a carbohydrate sulfate (CHEBI:35724)
(2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(2R,3R,4R,5R,6S)-6-hydroxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxane-2-carboxylic acid (CHEBI:153693) is a disaccharide derivative (CHEBI:63353)
Synonyms Sources
alpha-L-ido-hexopyranosyluronic acid-(1->4)-2-deoxy-3,6-di-O-sulfo-2-sulfoamino-alpha-D-gluco-hexopyranose SUBMITTER
IdoA(a1-4)a-GlcNS3S6S SUBMITTER
WURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NSO/3=O/3=O_3*OSO/3=O/3=O_6*OSO/3=O/3=O][a2121A-1a_1-5]/1-2/a4-b1 SUBMITTER
Manual Xrefs Databases
G74254SE GlyGen
G74254SE GlyTouCan
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