CHEBI:155752 - (2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
ChEBI ID CHEBI:155752
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information ChemicalBook:CB0276607, eMolecules:503323, eMolecules:28295293, Selleckchem:Niacin(Nicotinic-acid), ZINC000000001795
Download Molfile XML SDF
Formula C18H32O15
Net Charge 0
Average Mass 488.439
Monoisotopic Mass 488.17412
InChI InChI=1S/C18H32O15/c1-4-7(21)9(23)13(27)17(29-4)33-15-10(24)8(22)5(2-19)31-18(15)32-14-6(3-20)30-16(28)12(26)11(14)25/h4-28H,2-3H2,1H3/t4-,5+,6+,7+,8-,9+,10-,11+,12+,13-,14+,15+,16-,17-,18-/m0/s1
InChIKey SNFSYLYCDAVZGP-YRWBNXTKSA-N
SMILES O([C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)CO)[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O
ChEBI Ontology
Outgoing (2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol (CHEBI:155752) is a oligosaccharide (CHEBI:50699)
Synonyms Sources
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-alpha-D-gluco-hexopyranose SUBMITTER
Fuc(a1-2)Gal(b1-4)a-Glc SUBMITTER
WURCS=2.0/3,3,2/[a2122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3/a4-b1_b2-c1 SUBMITTER
Manual Xrefs Databases
G94133JU GlyTouCan
G94133JU GlyGen
View more database links