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CHEBI:44649 - methyl 3,4-di-O-methyl-2,6-di-O-sulfo-α-D-glucopyranosyl-(1→4)-2,3-di-O-methyl-β-D-glucopyranuronosyl-(1→4)-2,3,6-tri-O-sulfo-α-D-glucopyranosyl-(1→4)-3-O-methyl-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2,3,6-tri-O-sulfo-α-D-glucopyranoside

Default Structure
ChEBI IDCHEBI:44649
ChEBI Namemethyl 3,4-di-O-methyl-2,6-di-O-sulfo-α-D-glucopyranosyl-(1→4)-2,3-di-O-methyl-β-D-glucopyranuronosyl-(1→4)-2,3,6-tri-O-sulfo-α-D-glucopyranosyl-(1→4)-3-O-methyl-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2,3,6-tri-O-sulfo-α-D-glucopyranoside
Stars
ASCII Namemethyl 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranosyl-(1->4)-2,3-di-O-methyl-beta-D-glucopyranuronosyl-(1->4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranosyl-(1->4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronosyl-(1->4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranoside
Last Modified4 December 2017
DownloadsMolfile
FormulaC36H60O55S9
Net Charge0
Average Mass1661.424
Monoisotopic Mass1659.93845
SMILES[H]OC(=O)[C@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(OS(=O)(=O)O[H])[C@@]([H])(OS(=O)(=O)O[H])[C@@]([H])(OC([H])([H])[H])O[C@]2([H])C([H])([H])OS(=O)(=O)O[H])[C@]([H])(OS(=O)(=O)O[H])[C@@]([H])(OC([H])([H])[H])[C@]1([H])O[C@@]1([H])O[C@]([H])(C([H])([H])OS(=O)(=O)O[H])[C@@]([H])(O[C@]2([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[C@@]3([H])O[C@]([H])(C([H])([H])OS(=O)(=O)O[H])[C@@]([H])(OC([H])([H])[H])[C@]([H])(OC([H])([H])[H])[C@@]3([H])OS(=O)(=O)O[H])[C@]([H])(OC([H])([H])[H])[C@@]2([H])OC([H])([H])[H])[C@]([H])(OS(=O)(=O)O[H])[C@@]1([H])OS(=O)(=O)O[H]
InChIInChI=1S/C36H60O55S9/c1-68-13-10(7-74-92(41,42)43)78-34(26(16(13)69-2)88-97(56,57)58)82-19-17(70-3)25(72-5)33(84-23(19)30(37)38)80-15-12(9-76-94(47,48)49)79-35(29(91-100(65,66)67)22(15)87-96(53,54)55)83-20-18(71-4)27(89-98(59,60)61)36(85-24(20)31(39)40)81-14-11(8-75-93(44,45)46)77-32(73-6)28(90-99(62,63)64)21(14)86-95(50,51)52/h10-29,32-36H,7-9H2,1-6H3,(H,37,38)(H,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)/t10-,11-,12-,13-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24-,25-,26-,27-,28-,29-,32+,33-,34-,35-,36-/m1/s1
InChIKeyMQLWHPBUPXUQHM-XAYBSJBFSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl 3,4-di-O-methyl-2,6-di-O-sulfo-α-D-glucopyranosyl-(1→4)-2,3-di-O-methyl-β-D-glucopyranuronosyl-(1→4)-2,3,6-tri-O-sulfo-α-D-glucopyranosyl-(1→4)-3-O-methyl-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2,3,6-tri-O-sulfo-α-D-glucopyranoside (CHEBI:44649) is a unclassifieds (CHEBI:27189)
Synonyms  Source
HEPARIN PENTASACCHARIDEPDBeChem
methyl 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranosyl-(1->4)-2,3-di-O-methyl-beta-D-glucopyranuronosyl-(1->4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranosyl-(1->4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronosyl-(1->4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranosidePDBeChem
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