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CHEBI:150007 - IdoA2S-GlcNS6S tetrasaccharide

Default Structure
ChEBI IDCHEBI:150007
ChEBI NameIdoA2S-GlcNS6S tetrasaccharide
Stars
DefinitionIdoA2S-GlcNS6S-IdoA2S-GlcNS6S-IdoA2S-GlcNS6S -IdoA2S-GlcNS6S
Last Modified26 May 2020
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC48H78N4O77S12
Net Charge0
Average Mass2327.907
Monoisotopic Mass2325.89593
SMILESO=C(O)[C@@H]1O[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]8COS(=O)(=O)O)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)[C@H](OS(=O)(=O)O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C48H78N4O77S12/c53-13-9(49-130(71,72)73)41(70)111-5(1-107-134(83,84)85)22(13)115-46-31(127-139(98,99)100)19(59)26(34(123-46)38(64)65)119-43-11(51-132(77,78)79)15(55)24(7(113-43)3-109-136(89,90)91)117-48-33(129-141(104,105)106)21(61)28(36(125-48)40(68)69)121-44-12(52-133(80,81)82)16(56)25(8(114-44)4-110-137(92,93)94)118-47-32(128-140(101,102)103)20(60)27(35(124-47)39(66)67)120-42-10(50-131(74,75)76)14(54)23(6(112-42)2-108-135(86,87)88)116-45-30(126-138(95,96)97)18(58)17(57)29(122-45)37(62)63/h5-36,41-61,70H,1-4H2,(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)(H,104,105,106)/t5-,6-,7-,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-/m1/s1
InChIKeyZCDQZWIFJVXDTK-VWQUDEBGSA-N
ChEBI Ontology
Outgoing Relation(s)
IdoA2S-GlcNS6S tetrasaccharide (CHEBI:150007) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
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-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-glucopyranose