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CHEBI:138702 - HP_dp08_0004

ChEBI IDCHEBI:138702
ChEBI NameHP_dp08_0004
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)-2-O-sulfo-D-xylo-hexopyranuronosyl, 2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl, (5ξ)-2-O-sulfo-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(2SO4)-GlcNSO3-HexA(2SO4)-GlcNSO3.
Last Modified22 January 2018
Submitterricardblum
DownloadsMolfile
FormulaC48H76N4O61S7
Net Charge0
Average Mass1909.572
Monoisotopic Mass1908.10129
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](OS(=O)(=O)O)[C@H]7O)O[C@@H]6CO)[C@H](OS(=O)(=O)O)[C@H]5O)O[C@@H]4CO)[C@H](OS(=O)(=O)O)[C@H]3O)O[C@@H]2CO)O1
InChIInChI=1S/C48H76N4O61S7/c53-2-8-24(17(59)12(41(74)96-8)49-114(75,76)77)102-46-31(111-118(87,88)89)21(63)28(34(108-46)38(68)69)106-43-14(51-116(81,82)83)19(61)26(10(4-55)99-43)104-48-33(113-120(93,94)95)23(65)30(36(110-48)40(72)73)107-44-15(52-117(84,85)86)20(62)27(11(5-56)100-44)103-47-32(112-119(90,91)92)22(64)29(35(109-47)39(70)71)105-42-13(50-115(78,79)80)18(60)25(9(3-54)98-42)101-45-16(58)6(57)1-7(97-45)37(66)67/h1,6,8-36,41-65,74H,2-5H2,(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)/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
InChIKeyGENLJKXKEZOASQ-CJEKDHAFSA-N
ChEBI Ontology
Outgoing Relation(s)
HP_dp08_0004 (CHEBI:138702) is a amino octasaccharide (CHEBI:71060)
HP_dp08_0004 (CHEBI:138702) is a heparin octasaccharide (CHEBI:132215)
HP_dp08_0004 (CHEBI:138702) 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)-2-O-sulfo-D-xylo-hexopyranuronosyl-(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-glucopyranose
Synonyms  Source
alpha-delta4,5-HexA-(1-4)-alpha-D-GlcpNS-(1-4)-HexA(2S)-(1-4)-alpha-D-GlcpNS-(1-4)-HexA(2S)-(1-4)-alpha-D-GlcpNS-(1-4)-HexA(2S)-(1-4)-alpha-D-GlcpNSIUPAC
2S-3SUBMITTER
Manual XrefsDatabases
G85616AGGlyTouCan
Citations