Dataset

GUANOSINEDIPHOSPHATEMANNOSE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P101901_F638 contains the MS2 mass spectrum of GUANOSINEDIPHOSPHATEMANNOSE with the InChIkey MVMSCBBUIHUTGJ-GDJBGNAASA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1
SMILES NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
InChI Key MVMSCBBUIHUTGJ-GDJBGNAASA-N
Molecular Formula C16H25N5O16P2
Exact Mass 605.077 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_P101901_F638
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:23.637584
MetadataModified 2025-02-08T18:45:08.336227
MetadataPublished 2021-12-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16224492 PubChem: Thomson Pharma
3123-67-9 ACToR
60020989 NMRShiftDB
15993494 PubChem: Thomson Pharma
1870 Brenda
17031 Brenda
3633 Brenda
366 Brenda
149417 Brenda
1027 Brenda
MTBLC15820 Metabolights
ZINC000008215581 ZINC
HMDB0001163 Human Metabolome Database
SA0B77H8CS FDA SRS
GDD PDBe
C00096 KEGG Ligand
15820 ChEBI
J247.698C Nikkaji
135398627 PubChem
The data in this table is sourced from UniChem at EBI.