Dataset

Heterofucan.hsqc

This dataset contains NMR spectra obtained for the sample heterofucan purified from the marine microalgae Glossomastix sp. PLY432

InChI	InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1
SMILES	C[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O
InChI Key	SHZGCJCMOBCMKK-DHVFOXMCSA-N
Molecular Formula	C6H12O5
Exact Mass	164.160 g/mol

Data and Resources

Field	Value
DOI	10.57992/nmrxiv.p83.s705.d3466
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode
Source	https://nmrxiv.org/D3466
Version
Author
Maintainer
Language	english
MetadataCreated	2025-02-03T16:59:05.484990
MetadataModified	2025-02-03T16:59:05.484996
MetadataPublished	2024-10-07 18:52:02
Related Molecule

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : D2O acquisition nucleus : 1H , 13C NMR spectrum by dimensionality : 2 NMR probe : Z119427_0018 (CP TCI 800S4 H-C/N-D-05 Z) Temperature : 298.1011 K irradiation frequency : 800.03 MHz , 201.167703506 MHz magnetic field strength : 18.78998070928335 Tesla number of scans : 32 scans nuclear magnetic resonance pulse sequence : hsqcedetgpsisp2.3 Spectral Width : 10.0156030013582 , 99.8128237694448 number of data points : 17 points relaxation time measurement : 1.2 seconds

Data-Source Molecule ID	Data-Source
CHEMBL469449	ChEMBL
2181	ChEBI
C01019	KEGG Ligand
L-FUCOSE	clinicaltrials
J192.648I	Nikkaji
50242419	BindingDB
2181	Rhea
101744	Brenda
MTBLC2181	Metabolights
5119	Brenda
105335	Brenda
717	Brenda
17106	PubChem
60023400	NMRShiftDB
PD124421	ProbesDrugs
15066556	PubChem: Thomson Pharma
SCHEMBL63943	SureChEMBL
fuc_L	Recon
513528	eMolecules
The data in this table is sourced from UniChem at EBI.