EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:147947 - [(2R,3S,4R,5R)-5-Acetamido-6-[[(2R,3R,4R,5R)-5-acetamido-3,6-dihydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxyoxan-2-yl]methyl hydrogen sulfate

ChEBI IDCHEBI:147947
ChEBI Name[(2R,3S,4R,5R)-5-Acetamido-6-[[(2R,3R,4R,5R)-5-acetamido-3,6-dihydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxyoxan-2-yl]methyl hydrogen sulfate
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H58N2O28S
Net Charge0
Average Mass974.891
Monoisotopic Mass974.28968
SMILESCC(=O)N[C@H]1C(OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](OC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2OC2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/4,5,4/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1x_1-5][a2122h-1x_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a1221m-1x_1-5]/1-2-3-2-4/a3-b1_a6-c1_c4-d1_d2-e1
InChIInChI=1S/C34H58N2O28S/c1-8-17(41)22(46)25(49)32(57-8)64-29-24(48)19(43)12(5-38)60-34(29)62-27-14(7-56-65(52,53)54)61-31(15(21(27)45)35-9(2)39)55-6-13-20(44)28(16(30(51)58-13)36-10(3)40)63-33-26(50)23(47)18(42)11(4-37)59-33/h8,11-34,37-38,41-51H,4-7H2,1-3H3,(H,35,39)(H,36,40)(H,52,53,54)/t8-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20-,21+,22+,23-,24-,25-,26+,27+,28+,29+,30?,31?,32?,33?,34?/m0/s1
InChIKeyCFPOLWWRURFPOA-UDKVBWOBSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3S,4R,5R)-5-Acetamido-6-[[(2R,3R,4R,5R)-5-acetamido-3,6-dihydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:147947) is a oligosaccharide sulfate (CHEBI:37909)
Synonyms  Source
6-deoxy-L-galacto-hexopyranosyl-(1->2)-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfo-D-gluco-hexopyranosyl-(1->6)-[D-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-galacto-hexopyranoseSUBMITTER
Fuc(?1-2)Gal(?1-4)GlcNAc6S(?1-6)[Gal(?1-3)]GalNAcSUBMITTER
Manual XrefsDatabases
G12781XIGlyTouCan
G12781XIGlyGen