Dataset

URIDINEDIPHOSPHATENACETYLGLUCOSAMINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P103301_FB57 contains the MS2 mass spectrum of URIDINEDIPHOSPHATENACETYLGLUCOSAMINE with the InChIkey LFTYTUAZOPRMMI-CFRASDGPSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1
SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O
InChI Key LFTYTUAZOPRMMI-CFRASDGPSA-N
Molecular Formula C17H27N3O17P2
Exact Mass 607.082 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P103301_FB57
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:25.229072
MetadataModified 2025-02-08T18:52:43.420345
MetadataPublished 2021-12-23
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16264 ChEBI
C00043 KEGG Ligand
UD1 PDBe
CHEMBL388154 ChEMBL
77419 Brenda
136422 Brenda
1779 Guide to Pharmacology
253282 Brenda
J506.541K Nikkaji
136897 Brenda
171537 Brenda
89380 Brenda
97287 Brenda
31077 Brenda
1424 Brenda
19704 Brenda
112022 Brenda
126 Brenda
174295 Brenda
95328 Brenda
DB03397 DrugBank
276 Brenda
130824 Brenda
HMDB0000290 Human Metabolome Database
ZINC000008551100 ZINC
MTBLC16264 Metabolights
383 Brenda
17973 Brenda
40056 Brenda
445675 PubChem
15944818 PubChem: Thomson Pharma
SCHEMBL1521296 SureChEMBL
LMSL01010002 LipidMaps
PD050823 ProbesDrugs
60020702 NMRShiftDB
The data in this table is sourced from UniChem at EBI.