Dataset

Cholesteryl palmitate

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N102818_9EE2 contains the MS2 mass spectrum of Cholesteryl palmitate with the InChIkey BBJQPKLGPMQWBU-JADYGXMDSA-N.

Chemical Info

InChI	InChI=1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1
SMILES	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCC)[C@H](C)CCCC(C)C
InChI Key	BBJQPKLGPMQWBU-JADYGXMDSA-N
Molecular Formula	C43H76O2
Exact Mass	624.585 g/mol

Data and Resources

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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_N102818_9EE2
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:37:12.959608
MetadataModified	2025-02-08T18:51:39.609804
MetadataPublished	2022-04-07
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HMDB0000885	Human Metabolome Database
DTXSID40889356	EPA CompTox Dashboard
CB3327487	ChemicalBook
ZINC000008234393	ZINC
MTBLC3663	Metabolights
SCHEMBL295637	SureChEMBL
493367	eMolecules
16506704	PubChem: Thomson Pharma
246520	PubChem
ZR4D53AD57	FDA SRS
HC02020	Recon
60021019	NMRShiftDB
PD099494	ProbesDrugs
J151.218H	Nikkaji
5951	Brenda
HY-W010708	MedChemExpress
LMST01020005	LipidMaps
3663	Rhea
C11251	KEGG Ligand
3663	ChEBI
The data in this table is sourced from UniChem at EBI.