CHEBI:140925 - HS_dp08_0002

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name HS_dp08_0002
ChEBI ID CHEBI:140925
Definition A heparan sulfate octasaccharide with sequence: GlcA-GlcNSO3-IdoA(2-OSO3)-GlcNSO3-IdoA(2-OSO3)-GlcNSO3-IdoA-aManR(6-OSO3) (aManR = 2,5-anhydro-D-mannitol).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Sylvie RICARD-BLUM
Supplier Information
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Formula C48H77N3O59S6
Net Charge 0
Average Mass 1832.508
Monoisotopic Mass 1831.14414
InChI InChI=1S/C48H77N3O59S6/c52-1-6-14(56)28(10(94-6)5-93-114(84,85)86)99-46-22(64)20(62)29(35(106-46)39(69)70)102-42-12(50-112(78,79)80)16(58)26(8(3-54)96-42)100-47-34(110-116(90,91)92)24(66)31(37(108-47)41(73)74)104-44-13(51-113(81,82)83)17(59)27(9(4-55)97-44)101-48-33(109-115(87,88)89)23(65)30(36(107-48)40(71)72)103-43-11(49-111(75,76)77)15(57)25(7(2-53)95-43)98-45-21(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
InChIKey NJVQDMZFPLSOFX-YPNFMPRKSA-N
SMILES O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1C(=O)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)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]4CO)O[C@H]5[C@@H]([C@H]([C@@H](O[C@H]5C(O)=O)O[C@H]6[C@@H]([C@H]([C@H](O[C@@H]6CO)O[C@H]7[C@@H]([C@H]([C@@H](O[C@H]7C(O)=O)O[C@H]8[C@@H]([C@H](O[C@@H]8COS(O)(=O)=O)CO)O)O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Bovine intestinal heparan sulfate See: PubMed
ChEBI Ontology
Outgoing HS_dp08_0002 (CHEBI:140925) is a amino octasaccharide (CHEBI:71060)
HS_dp08_0002 (CHEBI:140925) is a heparan sulfate octasaccharide (CHEBI:142519)
HS_dp08_0002 (CHEBI:140925) 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-(1-4)-α-L-IdopA(2S)-(1-4)-α-D-GlcpNS-(1-4)-α-L-IdopA-(1-4)-D-Manf(6S)
β-D-glucopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-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-1-O-sulfo-D-mannitol
Synonym Source
Octasaccharide 8b SUBMITTER
Manual Xref Database
G05889HU GlyTouCan
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Last Modified
08 November 2018