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CHEBI:138701 - HP_dp08_0005

ChEBI IDCHEBI:138701
ChEBI NameHP_dp08_0005
Stars
DefinitionA heparin octasaccharide consisting of 4-deoxy-α-L-threo-hex-4-enopyranuronosyl, 2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl, (5ξ)-D-xylo-hexopyranuronosyl, 2-deoxy-6-O-sulfo-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-GlcNSO3(6SO4)-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]4COS(=O)(=O)O)[C@H](O)[C@H]3O)O[C@@H]2CO)O1
InChIInChI=1S/C48H76N4O55S5/c53-2-8-27(17(58)12(41(76)93-8)49-108(77,78)79)99-46-24(65)21(62)31(34(105-46)38(70)71)102-43-14(51-110(83,84)85)19(60)29(10(4-55)96-43)100-47-25(66)22(63)33(36(106-47)40(74)75)104-44-15(52-111(86,87)88)20(61)30(11(97-44)5-92-112(89,90)91)101-48-26(67)23(64)32(35(107-48)39(72)73)103-42-13(50-109(80,81)82)18(59)28(9(3-54)95-42)98-45-16(57)6(56)1-7(94-45)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
InChIKeyWMKMBXGSEBLNCI-ZMZALISWSA-N
ChEBI Ontology
Outgoing Relation(s)
HP_dp08_0005 (CHEBI:138701) is a amino octasaccharide (CHEBI:71060)
HP_dp08_0005 (CHEBI:138701) is a heparin octasaccharide (CHEBI:132215)
HP_dp08_0005 (CHEBI:138701) 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)-D-xylo-hexopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-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-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-HexA-(1-4)-alpha-D-GlcpNS-(1-4)-HexA-(1-4)-alpha-D-GlcpNSIUPAC
6S-1SUBMITTER
Manual XrefsDatabases
G14047QTGlyTouCan
Citations