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CHEBI:138677 - HP_dp08_0011

ChEBI IDCHEBI:138677
ChEBI NameHP_dp08_0011
Stars
DefinitionA heparin octasaccharide consisting of 4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl, 2-O-sulfo-α-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl, 2-O-sulfo-α-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl, 2-O-sulfo-α-L-idopyranuronosyl, and 2-deoxy-2-(sulfoamino)-α-D-glucopyranose units joined in sequence by (1→4) linkages. Sequence: DUA2S-GlcNS6S-IdoA2S-GlcNS6S-IdoA2S-GlcNS6S-IdoA2S-GlcNS.
Last Modified22 January 2018
Submitterricardblum
DownloadsMolfile
FormulaC48H76N4O73S11
Net Charge0
Average Mass2229.828
Monoisotopic Mass2227.92855
SMILESO=C(O)C1=C[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]3[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]4[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]5[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]6[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]7[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]8[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]8CO)O[C@H]7C(=O)O)O[C@@H]6COS(=O)(=O)O)O[C@H]5C(=O)O)O[C@@H]4COS(=O)(=O)O)O[C@H]3C(=O)O)O[C@@H]2COS(=O)(=O)O)O1
InChIInChI=1S/C48H76N4O73S11/c53-2-8-24(16(55)12(41(70)107-8)49-126(71,72)73)112-46-31(123-134(95,96)97)20(59)28(34(119-46)38(64)65)116-43-14(51-128(77,78)79)18(57)26(10(110-43)4-105-131(86,87)88)114-48-33(125-136(101,102)103)22(61)30(36(121-48)40(68)69)118-44-15(52-129(80,81)82)19(58)27(11(111-44)5-106-132(89,90)91)115-47-32(124-135(98,99)100)21(60)29(35(120-47)39(66)67)117-42-13(50-127(74,75)76)17(56)25(9(109-42)3-104-130(83,84)85)113-45-23(122-133(92,93)94)6(54)1-7(108-45)37(62)63/h1,6,8-36,41-61,70H,2-5H2,(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)(H,101,102,103)/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
InChIKeyBBEVDJHGDCYXGP-CYFLVULTSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) - PubMed (20729345) Porcine intestinal mucosa heparin
ChEBI Ontology
Outgoing Relation(s)
HP_dp08_0011 (CHEBI:138677) is a amino octasaccharide (CHEBI:71060)
HP_dp08_0011 (CHEBI:138677) is a heparin octasaccharide (CHEBI:132215)
HP_dp08_0011 (CHEBI:138677) 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-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
Synonym  Source
alpha-delta4,5-HexA(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(6S)-(1-4)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNSIUPAC
Manual XrefsDatabases
G17219LEGlyTouCan
Citations