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CHEBI:140923 - HS_dp08_0004

ChEBI IDCHEBI:140923
ChEBI NameHS_dp08_0004
Stars
DefinitionA heparan sulfate octasaccharide with sequence: GlcA-GlcNSO3(6-OSO3)-IdoA(2-OSO3)-GlcNSO3(6-OSO3)-IdoA(2-OSO3)-GlcNSO3-IdoA-aManR (aManR = 2,5-anhydro-D-mannitol).
Last Modified8 November 2018
Submitterricardblum
DownloadsMolfile
FormulaC48H77N3O62S7
Net Charge0
Average Mass1912.572
Monoisotopic Mass1911.10095
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]2COS(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C48H77N3O62S7/c52-1-6-14(55)25(7(2-53)97-6)101-46-22(63)20(61)29(35(109-46)39(68)69)105-42-11(49-114(74,75)76)15(56)26(8(3-54)98-42)103-47-33(112-119(89,90)91)23(64)30(36(110-47)40(70)71)107-44-13(51-116(80,81)82)17(58)28(10(100-44)5-96-118(86,87)88)104-48-34(113-120(92,93)94)24(65)31(37(111-48)41(72)73)106-43-12(50-115(77,78)79)16(57)27(9(99-43)4-95-117(83,84)85)102-45-21(62)18(59)19(60)32(108-45)38(66)67/h6-37,42-65H,1-5H2,(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)/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
InChIKeyYMKYMUZLFIVHJW-YPNFMPRKSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) - PubMed (11278860) Bovine intestinal heparan sulfate
ChEBI Ontology
Outgoing Relation(s)
HS_dp08_0004 (CHEBI:140923) is a amino octasaccharide (CHEBI:71060)
HS_dp08_0004 (CHEBI:140923) is a heparan sulfate octasaccharide (CHEBI:142519)
HS_dp08_0004 (CHEBI:140923) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Names 
β-D-GlcpA-(1-4)-α-D-GlcpNS(6S)-(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)-α-L-IdopA-(1-4)-D-Manf
β-D-glucopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-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)-α-L-idopyranuronosyl-(1→3)-2,5-anhydro-D-mannitol
Synonym  Source
Octasaccharide 8dSUBMITTER
Manual XrefsDatabases
G90290QZGlyTouCan