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CHEBI:138683 - HP_dp02_0009

ChEBI IDCHEBI:138683
ChEBI NameHP_dp02_0009
Stars
DefinitionAn unsaturated heparin disaccharide that is 2N,6-O-disulfo-α-D-glucosamine in which the hydroxy group at position 4 has been glycosylated by 4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronic acid. Sequence: DUA2S-GlcNS6S.
Last Modified10 April 2020
Submitterricardblum
DownloadsMolfile
FormulaC12H19NO19S3
Net Charge0
Average Mass577.473
Monoisotopic Mass576.97134
SMILESO=C(O)C1=C[C@H](O)[C@@H](OS(=O)(=O)O)[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)O1
InChIInChI=1S/C12H19NO19S3/c14-3-1-4(10(16)17)30-12(8(3)32-35(25,26)27)31-9-5(2-28-34(22,23)24)29-11(18)6(7(9)15)13-33(19,20)21/h1,3,5-9,11-15,18H,2H2,(H,16,17)(H,19,20,21)(H,22,23,24)(H,25,26,27)/t3-,5+,6+,7+,8+,9+,11-,12-/m0/s1
InChIKeyLRPGJWKAYQRIAQ-GYBHJADLSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) - PubMed (20729345) Porcine intestinal mucosa heparin
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
HP_dp02_0009 (CHEBI:138683) is a monocarboxylic acid (CHEBI:25384)
HP_dp02_0009 (CHEBI:138683) is a oligosaccharide sulfate (CHEBI:37909)
HP_dp02_0009 (CHEBI:138683) is a unsaturated heparin disaccharide (CHEBI:138728)
HP_dp02_0009 (CHEBI:138683) is conjugate acid of heparin disaccharide I-S(4−) (CHEBI:43053)
Incoming Relation(s)
heparin disaccharide I-S(4−) (CHEBI:43053) is conjugate base of HP_dp02_0009 (CHEBI:138683)
IUPAC Name 
2-deoxy-4-O-(4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl)-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranose
Synonyms  Source
alpha-delta4,5-UA(2S)-(1-4)-alpha-D-GlcpNS(6S)IUPAC
H1SChEBI
α-Δ4,5-UA(2S)-(1-4)-α-D-GlcpNS(6S)ChEBI
heparin disaccharide I-SChEBI
Manual XrefsDatabases
G01871HOGlyTouCan
Registry NumbersSources
Reaxys:1419414Reaxys
Citations