Dataset

all trans-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl pyrophosphate ammonium salt, Geranylgeranyl pyrophosphate ammonium salt, GGPP

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS012309 contains the MS2 mass spectrum of all trans-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl pyrophosphate ammonium salt, Geranylgeranyl pyrophosphate ammonium salt, GGPP with the InChIkey OINNEUNVOZHBOX-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)
SMILES	CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C
InChI Key	OINNEUNVOZHBOX-UHFFFAOYSA-N
Molecular Formula	C20H36O7P2
Exact Mass	450.453 g/mol

Data and Resources

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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-PS012309
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:23:39.301610
MetadataModified	2025-02-09T19:06:34.206132
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
BUE	PDBe
DB07841	DrugBank
SCHEMBL155330	SureChEMBL
735	PubChem
PD059091	ProbesDrugs
15831	ChEBI
HMDB0252702	Human Metabolome Database
The data in this table is sourced from UniChem at EBI.