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CHEBI:140926 - HS_dp08_0001

ChEBI IDCHEBI:140926
ChEBI NameHS_dp08_0001
Stars
DefinitionA heparan sulfate octasaccharide with sequence: GlcA-GlcNSO3-IdoA(2-OSO3)-GlcNSO3(6-OSO3)-IdoA(2-OSO3)-GlcNSO3-GlcA-aManR (aManR = 2,5-anhydro-D-mannitol).
Last Modified8 November 2018
Submitterricardblum
DownloadsMolfile
FormulaC48H77N3O59S6
Net Charge0
Average Mass1832.508
Monoisotopic Mass1831.14414
SMILESO=C(O)[C@H]1O[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[C@H]5[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]6[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@H]8[C@H](O)[C@@H](CO)O[C@@H]8CO)O[C@@H]7C(=O)O)O[C@@H]6CO)O[C@H]5C(=O)O)O[C@@H]4COS(=O)(=O)O)O[C@H]3C(=O)O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C48H77N3O59S6/c52-1-6-14(56)25(7(2-53)94-6)98-46-22(64)20(62)29(35(106-46)39(69)70)102-42-12(50-112(78,79)80)16(58)27(9(4-55)96-42)100-47-33(109-115(87,88)89)24(66)31(37(107-47)41(73)74)104-44-13(51-113(81,82)83)17(59)28(10(97-44)5-93-114(84,85)86)101-48-34(110-116(90,91)92)23(65)30(36(108-48)40(71)72)103-43-11(49-111(75,76)77)15(57)26(8(3-54)95-43)99-45-21(63)18(60)19(61)32(105-45)38(67)68/h6-37,42-66H,1-5H2,(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18+,19+,20-,21-,22-,23+,24+,25-,26-,27-,28-,29+,30+,31+,32+,33-,34-,35+,36-,37-,42-,43-,44-,45-,46-,47-,48-/m1/s1
InChIKeyLEQTYDKESKBWCL-JHTJNAPRSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) - PubMed (11278860) Bovine intestinal heparan sulfate
ChEBI Ontology
Outgoing Relation(s)
HS_dp08_0001 (CHEBI:140926) is a amino octasaccharide (CHEBI:71060)
HS_dp08_0001 (CHEBI:140926) is a heparan sulfate octasaccharide (CHEBI:142519)
HS_dp08_0001 (CHEBI:140926) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Names 
β-D-GlcpA-(1-4)-α-D-GlcpNS-(1-4)-α-L-IdopA(2S)-(1-4)-α-D-GlcpNS(6S)-(1-4)-α-L-IdopA(2S)-(1-4)-α-D-GlcpNS-(1-4)-β-D-GlcpA-(1-4)-D-Manf
β-D-glucopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-α-L-idopyranuronosyl-(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-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→3)-2,5-anhydro-D-mannitol
Synonym  Source
Octasaccharide 8aSUBMITTER
Manual XrefsDatabases
G05609SXGlyTouCan