CHEBI:138700 - HP_dp08_0006

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ChEBI Name HP_dp08_0006 ChEBI ID CHEBI:138700 Definition A 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-2-(sulfoamino)-α-D-glucopyranose units joined in sequence by (1→4) linkages. Sequence: DHexA-GlcNSO3-HexA-GlcNSO3(6SO4)-HexA-GlcNSO3(6SO4)-HexA-GlcNSO3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Sylvie RICARD-BLUM Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C48H76N4O58S6 Net Charge 0 Average Mass 1829.508 Monoisotopic Mass 1828.14447 InChI InChI=1S/C48H76N4O58S6/c53-2-8-27(17(57)12(41(75)96-8)49-111(76,77)78)102-46-24(64)21(61)32(35(108-46)39(71)72)106-43-14(51-113(82,83)84)19(59)30(11(99-43)5-95-116(91,92)93)104-48-26(66)23(63)33(36(110-48)40(73)74)107-44-15(52-114(85,86)87)20(60)29(10(100-44)4-94-115(88,89)90)103-47-25(65)22(62)31(34(109-47)38(69)70)105-42-13(50-112(79,80)81)18(58)28(9(3-54)98-42)101-45-16(56)6(55)1-7(97-45)37(67)68/h1,6,8-36,41-66,75H,2-5H2,(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)/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 InChIKey OHHWFGBQDAUDHQ-ZMZALISWSA-N SMILES OS(N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)OC2OC([C@H]([C@@H]([C@H]2O)O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NS(O)(=O)=O)O)OC4OC([C@H]([C@@H]([C@H]4O)O)O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5NS(O)(=O)=O)O)O[C@@H]6OC(=C[C@@H]([C@H]6O)O)C(=O)O)CO)C(=O)O)COS(O)(=O)=O)C(=O)O)COS(O)(=O)=O)O[C@H]7[C@@H]([C@H](C(OC7C(=O)O)O[C@H]8[C@@H]([C@H]([C@H](O[C@@H]8CO)O)NS(O)(=O)=O)O)O)O)(=O)=O ChEBI Ontology Outgoing HP_dp08_0006 (CHEBI:138700) is a amino octasaccharide (CHEBI:71060) HP_dp08_0006 (CHEBI:138700) is a heparin octasaccharide (CHEBI:132215) HP_dp08_0006 (CHEBI:138700) 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-2-(sulfoamino)-α-D-glucopyranose Synonyms Sources 6S-2 SUBMITTER 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 IUPAC Manual Xref Database G46889XM GlyTouCan View more database links Citation Type Source 14707131 PubMed citation Europe PMC Last Modified 22 January 2018