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CHEBI:138717 - HP_dp02_0002

ChEBI IDCHEBI:138717
ChEBI NameHP_dp02_0002
Stars
DefinitionA heparin disaccharide that is 2N,6-O-disulfo-α-D-glucosamine in which the hydroxy group at position 4 has been glycosylated by α-L-idopyranuronic acid. Sequence: IdoA-GlcNSO3(6-OSO3).
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]2COS(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NSO/3=O/3=O_6*OSO/3=O/3=O][a2121A-1a_1-5]/1-2/a4-b1
InChIInChI=1S/C12H21NO17S2/c14-4-3(13-31(21,22)23)11(20)28-2(1-27-32(24,25)26)8(4)29-12-7(17)5(15)6(16)9(30-12)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
InChIKeyTVXJTWZKUCFSCJ-PNRHKHKDSA-N
ChEBI Ontology
Outgoing Relation(s)
HP_dp02_0002 (CHEBI:138717) has functional parent HP_dp02_0003 (CHEBI:138716)
HP_dp02_0002 (CHEBI:138717) is a amino disaccharide (CHEBI:22480)
HP_dp02_0002 (CHEBI:138717) is a heparin disaccharide (CHEBI:138729)
HP_dp02_0002 (CHEBI:138717) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Names 
alpha-L-IdopA-(1-4)-alpha-D-GlcpNS(6S)
2-deoxy-4-O-α-L-idopyranuronosyl-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranose
Synonym  Source
α-L-IdopA-(1-4)-α-D-GlcpNS(6S)ChEBI
Manual XrefsDatabases
G69038UVGlyTouCan
G69038UVGlyGen
Citations