Dataset

3',5'-Cyclic AMP

This MassBank record with Accession MSBNK-RIKEN-PR100100 contains the MS2 mass spectrum of 3',5'-Cyclic AMP with the InChIkey IVOMOUWHDPKRLL-KQYNXXCUSA-N.

Chemical Info

InChI	InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
SMILES	Nc(n4)c(n3)c(nc4)n(c3)[C@H](O1)[C@H](O)[C@H](O2)[C@@H](COP(O)(=O)2)1
InChI Key	IVOMOUWHDPKRLL-KQYNXXCUSA-N
Molecular Formula	C10H12N5O6P
Exact Mass	329.053 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR100100
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:03:06.992413
MetadataModified	2025-02-09T18:10:48.452854
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL1244	SureChEMBL
7108	Brenda
149147	Brenda
135757	Brenda
2119	Brenda
43706	Brenda
153381	Brenda
92293	Brenda
16561	Brenda
DB02527	DrugBank
92982	Brenda
268	Brenda
49501	Brenda
154365	Brenda
109775	Brenda
5478	Brenda
HMDB0000058	Human Metabolome Database
5121	Brenda
34419	Brenda
CB8747868	ChemicalBook
210657	Brenda
ZINC000003873977	ZINC
MTBLC17489	Metabolights
92810	Brenda
969	Brenda
474950	eMolecules
6076	PubChem
60020908	NMRShiftDB
PD002818	ProbesDrugs
cAMP	Atlas
15189713	PubChem: Thomson Pharma
54532-48-8	ACToR
11002-78-1	ACToR
E0399OZS9N	FDA SRS
102164	Brenda
10851	BindingDB
HY-B1511	MedChemExpress
DTXSID8040436	EPA CompTox Dashboard
2352	Guide to Pharmacology
5096	Guide to Pharmacology
J4.811I	Nikkaji
ILITAA	CCDC
50384264	BindingDB
CYCLIC AMP	rxnorm
17489	ChEBI
C00575	KEGG Ligand
CHEMBL316966	ChEMBL
CMP	PDBe
The data in this table is sourced from UniChem at EBI.