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CHEBI:165243 - N-Acetyl-9-O-lactoylneuraminic acid

Default Structure
ChEBI IDCHEBI:165243
ChEBI NameN-Acetyl-9-O-lactoylneuraminic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H23NO11
Net Charge0
Average Mass381.334
Monoisotopic Mass381.12711
SMILES[H][C@@]1([C@H](O)[C@H](O)COC(=O)C(C)O)O[C@](O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C14H23NO11/c1-5(16)12(21)25-4-8(19)10(20)11-9(15-6(2)17)7(18)3-14(24,26-11)13(22)23/h5,7-11,16,18-20,24H,3-4H2,1-2H3,(H,15,17)(H,22,23)/t5?,7-,8+,9+,10+,11+,14-/m0/s1
InChIKeyXXNWSGSWDRDYLR-NVZZXFSUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-Acetyl-9-O-lactoylneuraminic acid (CHEBI:165243) is a neuraminic acids (CHEBI:25508)
IUPAC Name 
(2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-dihydroxy-3-(2-hydroxypropanoyloxy)propyl]-2,4-dihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
166877ChemSpider
HMDB0000768HMDB
Registry NumbersSources
CAS:92935-30-3ChemIDplus