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CHEBI:155290 - (2R,4S,5R,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-2,3,4,6-tetrahydroxyhexoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:155290
ChEBI Name(2R,4S,5R,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-2,3,4,6-tetrahydroxyhexoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H34N2O15
Net Charge0
Average Mass530.480
Monoisotopic Mass530.19592
SMILESCC(=O)N[C@@H](CO)[C@@H](O)[C@@H](O)[C@H](O)CO[C@]1(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1
WURCSWURCS=2.0/2,2,1/[h2112h_2*NCC/3=O][Aad21122h-2a_2-6_5*NCCO/3=O]/1-2/a6-b2
InChIInChI=1S/C19H34N2O15/c1-7(25)20-8(3-22)14(30)15(31)11(28)6-35-19(18(33)34)2-9(26)13(21-12(29)5-24)17(36-19)16(32)10(27)4-23/h8-11,13-17,22-24,26-28,30-32H,2-6H2,1H3,(H,20,25)(H,21,29)(H,33,34)/t8-,9-,10+,11+,13+,14+,15-,16+,17+,19+/m0/s1
InChIKeyOJVNLJDWYQPOFQ-DKKNBMFISA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,4S,5R,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-2,3,4,6-tetrahydroxyhexoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:155290) is a neuraminic acids (CHEBI:25508)
Manual XrefsDatabases
G97874DVGlyGen
G97874DVGlyTouCan