CHEBI:138708 - HP_dp06_0003

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ChEBI Name HP_dp06_0003 ChEBI ID CHEBI:138708 Definition A heparin hexasaccharide consisting of 4-deoxy-2-O-sulfo-L-threo-hex-4-enopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucopyranosyl, 2-O-sulfo-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucopyranosyl, 2-O-sulfo-L-idopyranuronosyl, and 2-deoxy-2-(sulfoamino)-α-D-glucopyranose groups joined in sequence by α-(1→4) linkages. Sequence: DUAp2S(1-4)-a-D-GlcNp2S6S (1-4)-a-L-IdoAp2S(1-4)-a-D-GlcNp2S6S(1-4)-a-L-IdoAp2S(1-4)-a-D-GlcNp2S. 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 C36H57N3O54S8 Net Charge 0 Average Mass 1652.356 Monoisotopic Mass 1650.95721 InChI InChI=1S/C36H57N3O54S8/c40-2-7-19(13(42)10(31(53)80-7)37-94(54,55)56)84-35-24(92-100(72,73)74)16(45)22(26(89-35)29(49)50)87-33-12(39-96(60,61)62)15(44)21(9(83-33)4-79-98(66,67)68)86-36-25(93-101(75,76)77)17(46)23(27(90-36)30(51)52)88-32-11(38-95(57,58)59)14(43)20(8(82-32)3-78-97(63,64)65)85-34-18(91-99(69,70)71)5(41)1-6(81-34)28(47)48/h1,5,7-27,31-46,53H,2-4H2,(H,47,48)(H,49,50)(H,51,52)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)/t5-,7+,8+,9+,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21+,22-,23-,24+,25+,26+,27+,31-,32+,33+,34-,35+,36+/m0/s1 InChIKey BRFQFYFUDJRWSE-YKPGFUNCSA-N SMILES OS(N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]2O[C@H]([C@H]([C@@H]([C@H]2OS(O)(=O)=O)O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NS(O)(=O)=O)O)O[C@@H]4O[C@H]([C@H]([C@@H]([C@H]4OS(O)(=O)=O)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]6OS(O)(=O)=O)O)C(=O)O)COS(O)(=O)=O)C(=O)O)COS(O)(=O)=O)C(=O)O)CO)O)(=O)=O Metabolite of Species Details Sus scrofa (NCBI:txid9823) Porcine heparin See: PubMed ChEBI Ontology Outgoing HP_dp06_0003 (CHEBI:138708) is a amino hexasaccharide (CHEBI:61855) HP_dp06_0003 (CHEBI:138708) is a heparin hexasaccharide (CHEBI:139348) HP_dp06_0003 (CHEBI:138708) is a oligosaccharide sulfate (CHEBI:37909) IUPAC Name 4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-α-D-glucopyranose Synonyms Sources alpha-delta4,5-UA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNS SUBMITTER Hexa 2 octasulfated SUBMITTER Manual Xref Database G56305UV GlyTouCan View more database links Citation Type Source 7717977 PubMed citation Europe PMC Last Modified 22 January 2018