CHEBI:138712 - HP_dp02_0007

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ChEBI Name HP_dp02_0007 ChEBI ID CHEBI:138712 Definition A heparin disaccharide that is 2-O-sulfo-α-L-idopyranuronic acid in which the hydroxy group at position 4 has been glycosylated by 2-N,6-O-disulfo-α-D-glucosamine. Sequence: GlcNS6S-IdoA2S. Stars This entity has been manually annotated by the ChEBI Team. Submitter Sylvie RICARD-BLUM Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H21NO20S3 Net Charge 0 Average Mass 595.489 Monoisotopic Mass 594.98191 InChI InChI=1S/C12H21NO20S3/c14-4-2(1-29-35(23,24)25)30-12(3(5(4)15)13-34(20,21)22)32-7-6(16)8(33-36(26,27)28)11(19)31-9(7)10(17)18/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 JGMWIGKDFDNBLI-GQBJTHPJSA-N SMILES O(S(O)(=O)=O)[C@H]1[C@@H](O[C@H]([C@H]([C@@H]1O)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2NS(O)(=O)=O)O)O)COS(O)(=O)=O)C(=O)O)O ChEBI Ontology Outgoing HP_dp02_0007 (CHEBI:138712) is a amino disaccharide (CHEBI:22480) HP_dp02_0007 (CHEBI:138712) is a heparin disaccharide (CHEBI:138729) HP_dp02_0007 (CHEBI:138712) is a oligosaccharide sulfate (CHEBI:37909) IUPAC Name 4-O-[2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl]-2-O-sulfo-α-L-idopyranuronic acid Synonyms Sources alpha-D-GlcpN2,6S2-(1→4)-alpha-L-IdopA(2S) GlyTouCan α-D-GlcpNS(6S)-(1-4)-α-L-IdopA(2S) ChEBI alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S) IUPAC WURCS=2.0/2,2,1/[a2121A-1a_1-5_2*OSO/3=O/3=O][a2122h-1a_1-5_2*NSO/3=O/3=O_6*OSO/3=O/3=O]/1-2/a4-b1 GlyTouCan Manual Xrefs Databases G29057GU GlyGen G29057GU GlyTouCan View more database links Citation Type Source 22197178 PubMed citation Europe PMC Last Modified 20 April 2021