Dataset

Neuraminic acid N-acetate, Lactaminic acid, 5-Acetamido-3,5-dideoxy-D-glycero-D-galactononulosonic acid, 5-Acetylamino-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic Acid, N-acetylneuraminic acid, NANA, N-Acetylneuraminate, NAN, Sialic acid, Aceneuramic Acid, Neu5Ac

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS047408 contains the MS2 mass spectrum of Neuraminic acid N-acetate, Lactaminic acid, 5-Acetamido-3,5-dideoxy-D-glycero-D-galactononulosonic acid, 5-Acetylamino-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic Acid, N-acetylneuraminic acid, NANA, N-Acetylneuraminate, NAN, Sialic acid, Aceneuramic Acid, Neu5Ac with the InChIkey SQVRNKJHWKZAKO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)
SMILES CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
InChI Key SQVRNKJHWKZAKO-UHFFFAOYSA-N
Molecular Formula C11H19NO9
Exact Mass 309.271 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS047408
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:07:34.523475
MetadataModified 2024-01-11T21:07:34.696229
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
60023403 NMRShiftDB
906 PubChem
489-46-3 ACToR
PD055760 ProbesDrugs
736504 eMolecules
SCHEMBL2619258 SureChEMBL
CHEMBL112030 ChEMBL
HMDB0246275 Human Metabolome Database
J2.889.092C Nikkaji
The data in this table is sourced from UniChem at EBI.