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CHEBI:138706 - HP_dp08_0001

ChEBI IDCHEBI:138706
ChEBI NameHP_dp08_0001
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-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-HexA-GlcNSO3-HexA-GlcNSO3.
Last Modified22 January 2018
Submitterricardblum
DownloadsMolfile
FormulaC48H76N4O52S4
Net Charge0
Average Mass1669.380
Monoisotopic Mass1668.23084
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](O)[C@H]3O)O[C@@H]2CO)O1
InChIInChI=1S/C48H76N4O52S4/c53-2-8-27(17(59)12(41(77)90-8)49-105(78,79)80)96-46-24(66)21(63)31(34(102-46)38(71)72)100-43-14(51-107(84,85)86)19(61)29(10(4-55)93-43)98-48-26(68)23(65)33(36(104-48)40(75)76)101-44-15(52-108(87,88)89)20(62)30(11(5-56)94-44)97-47-25(67)22(64)32(35(103-47)39(73)74)99-42-13(50-106(81,82)83)18(60)28(9(3-54)92-42)95-45-16(58)6(57)1-7(91-45)37(69)70/h1,6,8-36,41-68,77H,2-5H2,(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)/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
InChIKeyFELANRQMSUEJBG-ZMZALISWSA-N
ChEBI Ontology
Outgoing Relation(s)
HP_dp08_0001 (CHEBI:138706) is a amino octasaccharide (CHEBI:71060)
HP_dp08_0001 (CHEBI:138706) is a heparin octasaccharide (CHEBI:132215)
HP_dp08_0001 (CHEBI:138706) 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-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-(1-4)-HexA-(1-4)-alpha-D-GlcpNS-(1-4)-HexA-(1-4)-alpha-D-GlcpNSIUPAC
Octa-ISUBMITTER
Manual XrefsDatabases
G22282SVGlyTouCan
Citations