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CHEBI:138712 - HP_dp02_0007

ChEBI IDCHEBI:138712
ChEBI NameHP_dp02_0007
Stars
DefinitionA 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.
Last Modified20 April 2021
Submitterricardblum
DownloadsMolfile
FormulaC12H21NO20S3
Net Charge0
Average Mass595.488
Monoisotopic Mass594.98191
SMILESO=C(O)[C@@H]1O[C@@H](O)[C@H](OS(=O)(=O)O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)O
WURCSWURCS=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
InChIInChI=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
InChIKeyJGMWIGKDFDNBLI-GQBJTHPJSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S)IUPAC
α-D-GlcpNS(6S)-(1-4)-α-L-IdopA(2S)ChEBI
alpha-D-GlcpN2,6S2-(1→4)-alpha-L-IdopA(2S)GlyTouCan
Manual XrefsDatabases
G29057GUGlyTouCan
G29057GUGlyGen
Citations