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CHEBI:138714 - HP_dp02_0005

ChEBI IDCHEBI:138714
ChEBI NameHP_dp02_0005
Stars
DefinitionA heparin disaccharide that is 2-N-sulfo-α-D-glucosamine in which the hydroxy group at position 4 has been glycosylated by 2-O-sulfo-α-L-idopyranuronic acid. Sequence: IdoA(2-OSO3)-GlcNSO3.
Last Modified20 April 2021
Submitterricardblum
DownloadsMolfile
FormulaC12H21NO17S2
Net Charge0
Average Mass515.424
Monoisotopic Mass515.02509
SMILESO=C(O)[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]2CO)[C@H](OS(=O)(=O)O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NSO/3=O/3=O][a2121A-1a_1-5_2*OSO/3=O/3=O]/1-2/a4-b1
InChIInChI=1S/C12H21NO17S2/c14-1-2-7(4(15)3(11(20)27-2)13-31(21,22)23)28-12-9(30-32(24,25)26)6(17)5(16)8(29-12)10(18)19/h2-9,11-17,20H,1H2,(H,18,19)(H,21,22,23)(H,24,25,26)/t2-,3-,4-,5+,6+,7-,8-,9-,11+,12-/m1/s1
InChIKeyNOJZNIVAYUWGAY-PNRHKHKDSA-N
ChEBI Ontology
Outgoing Relation(s)
HP_dp02_0005 (CHEBI:138714) has functional parent HP_dp02_0003 (CHEBI:138716)
HP_dp02_0005 (CHEBI:138714) is a amino disaccharide (CHEBI:22480)
HP_dp02_0005 (CHEBI:138714) is a heparin disaccharide (CHEBI:138729)
HP_dp02_0005 (CHEBI:138714) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
2-deoxy-2-(sulfoamino)-4-O-(2-O-sulfo-α-L-idopyranuronosyl)-α-D-glucopyranose
Synonyms  Source
alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNSIUPAC
α-L-IdopA(2S)-(1-4)-α-D-GlcpNSChEBI
Manual XrefsDatabases
G26097PLGlyTouCan
G26097PLGlyGen
Citations