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CHEBI:138699 - HP_dp08_0007

ChEBI IDCHEBI:138699
ChEBI NameHP_dp08_0007
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-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl, (5ξ)-D-xylo-hexopyranuronosyl, and 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranose units joined in sequence by (1→4) linkages. Sequence: DHexA-GlcNSO3-HexA-GlcNSO3(6SO4)-HexA-GlcNSO3(6SO4)-HexA-GlcNSO3(6SO4).
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]8COS(=O)(=O)O)[C@H](O)[C@H]7O)O[C@@H]6COS(=O)(=O)O)[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/C48H76N4O61S7/c53-2-8-27(104-45-16(55)6(54)1-7(100-45)37(66)67)18(57)13(50-115(78,79)80)42(101-8)108-31-21(60)25(64)47(112-34(31)38(68)69)106-29-10(4-97-119(90,91)92)103-44(15(19(29)58)52-117(84,85)86)110-33-23(62)26(65)48(113-36(33)40(72)73)107-30-11(5-98-120(93,94)95)102-43(14(20(30)59)51-116(81,82)83)109-32-22(61)24(63)46(111-35(32)39(70)71)105-28-9(3-96-118(87,88)89)99-41(74)12(17(28)56)49-114(75,76)77/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
InChIKeyQHFKUXQCGYOWLM-ZMZALISWSA-N
ChEBI Ontology
Outgoing Relation(s)
HP_dp08_0007 (CHEBI:138699) is a amino octasaccharide (CHEBI:71060)
HP_dp08_0007 (CHEBI:138699) is a heparin octasaccharide (CHEBI:132215)
HP_dp08_0007 (CHEBI:138699) 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-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-(5ξ)-D-xylo-hexopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranose
Synonym  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(6S)-(1-4)-HexA-(1-4)-alpha-D-GlcpNS(6S)IUPAC
Manual XrefsDatabases
G47808WFGlyTouCan
Citations