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CHEBI:138682 - HP_dp04_0002

ChEBI IDCHEBI:138682
ChEBI NameHP_dp04_0002
Stars
DefinitionA heparin tetrasaccharide consisting of 4-deoxy-2-O-sulfo-L-threo-hex-4-enopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucopyranosyl, 2-O-sulfo-L-idopyranuronosyl, and 2-deoxy-2-(sulfoamino)-α-D-glucopyranose joined in sequence by α-(1→4) linkages. Sequence: DUA2S-GlcNS6S-IdoA2S-GlcNS.
Last Modified22 January 2018
Submitterricardblum
DownloadsMolfile
FormulaC24H38N2O35S5
Net Charge0
Average Mass1074.882
Monoisotopic Mass1073.98587
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[C@H]3[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]4[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]4CO)O[C@H]3C(=O)O)O[C@@H]2COS(=O)(=O)O)O1
InChIInChI=1S/C24H38N2O35S5/c27-2-6-14(10(29)8(21(36)53-6)25-62(37,38)39)56-24-17(61-66(49,50)51)12(31)16(18(59-24)20(34)35)58-22-9(26-63(40,41)42)11(30)15(7(55-22)3-52-64(43,44)45)57-23-13(60-65(46,47)48)4(28)1-5(54-23)19(32)33/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
InChIKeyIZCIGJIBHHKAQP-QGODZPSXSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) - PubMed (20729345) Porcine intestinal mucosa heparin
ChEBI Ontology
Outgoing Relation(s)
HP_dp04_0002 (CHEBI:138682) is a amino tetrasaccharide (CHEBI:59412)
HP_dp04_0002 (CHEBI:138682) is a heparin tetrasaccharide (CHEBI:132213)
HP_dp04_0002 (CHEBI:138682) 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)-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-α-D-glucopyranose
Synonyms  Source
alpha-delta4,5-UA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNSIUPAC
α-Δ4,5-UA(2S)-(1-4)-α-D-GlcpNS(6S)-(1-4)-α-L-IdopA(2S)-(1-4)-α-D-GlcpNSChEBI
Manual XrefsDatabases
G09846IPGlyTouCan
Citations