CHEBI:155129 - (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
ChEBI ID CHEBI:155129
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C31H52N2O24
Net Charge 0
Average Mass 836.747
Monoisotopic Mass 836.29100
InChI InChI=1S/C31H52N2O24/c1-8(37)32-15-10(39)3-31(30(49)50,56-25(15)17(41)11(40)4-34)57-26-20(44)13(6-36)54-29(23(26)47)55-24-16(33-9(2)38)28(53-12(5-35)19(24)43)51-7-14-18(42)21(45)22(46)27(48)52-14/h10-29,34-36,39-48H,3-7H2,1-2H3,(H,32,37)(H,33,38)(H,49,50)/t10-,11+,12+,13+,14+,15+,16+,17+,18-,19+,20-,21-,22+,23+,24+,25+,26-,27?,28+,29-,31-/m0/s1
InChIKey QRLXXYCYEHEBLQ-DUCJOKBWSA-N
SMILES O([C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]2O)CO)OC[C@H]3OC(O)[C@H](O)[C@@H](O)[C@H]3O)O[C@@H]([C@@H]1O)CO)[C@]4(O[C@H]([C@H](NC(=O)C)[C@@H](O)C4)[C@H](O)[C@H](O)CO)C(O)=O
ChEBI Ontology
Outgoing (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:155129) is a neuraminic acids (CHEBI:25508)
Synonyms Sources
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-D-galacto-hexopyranose SUBMITTER
NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-6)Gal SUBMITTER
WURCS=2.0/4,4,3/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a6-b1_b3-c1_c3-d2 SUBMITTER
Manual Xrefs Databases
G94445GS GlyTouCan
G94445GS GlyGen
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