CHEBI:138681 - HP_dp04_0003

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ChEBI Name HP_dp04_0003 ChEBI ID CHEBI:138681 Definition A heparin tetrasaccharide consisting of 4-deoxy-2-O-sulfo-L-threo-hex-4-enopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucopyranosyl,D-glucopyranuronosyl and 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranose joined in sequence by (1→4) linkages with α, α, and β configuration, respectively. Sequence: DUA2S-GlcNS6S-GlcA-GlcNS6S. 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 C24H38N2O35S5 Net Charge 0 Average Mass 1074.882 Monoisotopic Mass 1073.98587 InChI InChI=1S/C24H38N2O35S5/c27-4-1-5(19(32)33)55-24(14(4)61-66(49,50)51)58-16-7(3-53-65(46,47)48)56-22(9(11(16)29)26-63(40,41)42)59-17-12(30)13(31)23(60-18(17)20(34)35)57-15-6(2-52-64(43,44)45)54-21(36)8(10(15)28)25-62(37,38)39/h1,4,6-18,21-31,36H,2-3H2,(H,32,33)(H,34,35)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)/t4-,6+,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,21-,22+,23+,24-/m0/s1 InChIKey QTSOBXZFMHJWGX-QRVIBNMSSA-N SMILES O1[C@H]([C@@H]([C@H](C=C1C(=O)O)O)OS(O)(=O)=O)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2COS(O)(=O)=O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3C(=O)O)O[C@H]4[C@@H]([C@H]([C@H](O[C@@H]4COS(O)(=O)=O)O)NS(O)(=O)=O)O)O)O)NS(O)(=O)=O)O Metabolite of Species Details Sus scrofa (NCBI:txid9823) Porcine intestinal mucosa heparin See: PubMed ChEBI Ontology Outgoing HP_dp04_0003 (CHEBI:138681) is a amino tetrasaccharide (CHEBI:59412) HP_dp04_0003 (CHEBI:138681) is a heparin tetrasaccharide (CHEBI:132213) HP_dp04_0003 (CHEBI:138681) is a oligosaccharide sulfate (CHEBI:37909) IUPAC Name 4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranose Synonyms Sources α-Δ4,5-UA(2S)-(1-4)-α-D-GlcpNS(6S)-(1-4)-β-D-GlcpA-(1-4)-α-D-GlcpNS(6S) ChEBI alpha-delta4,5-UA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-beta-D-GlcpA-(1-4)-alpha-D-GlcpNS(6S) IUPAC Manual Xref Database G73053PN GlyTouCan View more database links Registry Number Type Source 7247680 Reaxys Registry Number Reaxys Citation Type Source 20729345 PubMed citation Europe PMC Last Modified 22 January 2018

General Comment 2017-12-04 See also Carbohydr. Res., 1995, 269(1), 139-156