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CHEBI:138705 - HP_dp08_0002

ChEBI IDCHEBI:138705
ChEBI NameHP_dp08_0002
Stars
DefinitionA heparin octasaccharide consisting of 4-deoxy-α-L-threo-hex-4-enopyranuronosyl, 2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl, (5ξ)-2-O-sulfo-D-xylo-hexopyranuronosyl, 2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl, (5ξ)-D-xylo-hexopyranuronosyl, 2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl, (5ξ)-D-xylo-hexopyranuronosyl, and 2-deoxy-2-(sulfoamino)-α-D-glucopyranose units joined in sequence by (1→4) linkages. Sequence: DHexA-GlcNSO3-HexA(2SO4)-GlcNSO3-HexA-GlcNSO3-HexA-GlcNSO3.
Last Modified22 January 2018
Submitterricardblum
DownloadsMolfile
FormulaC48H76N4O55S5
Net Charge0
Average Mass1749.444
Monoisotopic Mass1748.18766
SMILESO=C(O)C1=C[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@@H]3C(C(=O)O)OC(O[C@H]4[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@@H]5C(C(=O)O)OC(O[C@H]6[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@@H]7C(C(=O)O)OC(O[C@H]8[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]8CO)[C@H](O)[C@H]7O)O[C@@H]6CO)[C@H](O)[C@H]5O)O[C@@H]4CO)[C@H](OS(=O)(=O)O)[C@H]3O)O[C@@H]2CO)O1
InChIInChI=1S/C48H76N4O55S5/c53-2-8-26(17(59)12(41(76)92-8)49-108(77,78)79)98-46-23(65)21(63)30(34(104-46)38(70)71)101-42-13(50-109(80,81)82)19(61)28(10(4-55)94-42)99-47-24(66)22(64)31(35(105-47)39(72)73)102-43-15(52-111(86,87)88)20(62)29(11(5-56)96-43)100-48-33(107-112(89,90)91)25(67)32(36(106-48)40(74)75)103-44-14(51-110(83,84)85)18(60)27(9(3-54)95-44)97-45-16(58)6(57)1-7(93-45)37(68)69/h1,6,8-36,41-67,76H,2-5H2,(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)/t6-,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?,41-,42+,43+,44+,45-,46?,47?,48?/m0/s1
InChIKeyCHIWFNPJRRECLW-JCSMADEJSA-N
ChEBI Ontology
Outgoing Relation(s)
HP_dp08_0002 (CHEBI:138705) is a amino octasaccharide (CHEBI:71060)
HP_dp08_0002 (CHEBI:138705) is a heparin octasaccharide (CHEBI:132215)
HP_dp08_0002 (CHEBI:138705) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
4-deoxy-α-L-threo-hex-4-enopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-(5ξ)-2-O-sulfo-D-xylo-hexopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-(5ξ)-D-xylo-hexopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-(5ξ)-D-xylo-hexopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-α-D-glucopyranose
Synonyms  Source
alpha-delta4,5-HexA-(1-4)-alpha-D-GlcpNS-(1-4)-HexA(2S)-(1-4)-alpha-D-GlcpNS-(1-4)-HexA-(1-4)-alpha-D-GlcpNS-(1-4)-HexA-(1-4)-alpha-D-GlcpNSIUPAC
2S-1SUBMITTER
Manual XrefsDatabases
G65177QFGlyTouCan
Citations