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
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 2024-01-11T09:29:23.798796
MetadataPublished 2021-12-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
GDD PDBe
15820 ChEBI
C00096 KEGG Ligand
16224492 PubChem: Thomson Pharma
3123-67-9 ACToR
60020989 NMRShiftDB
15993494 PubChem: Thomson Pharma
SA0B77H8CS FDA SRS
J247.698C Nikkaji
135398627 PubChem
MTBLC15820 Metabolights
1027 Brenda
149417 Brenda
HMDB0001163 Human Metabolome Database
366 Brenda
17031 Brenda
1870 Brenda
3633 Brenda
ZINC000008215581 ZINC
The data in this table is sourced from UniChem at EBI.