cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/nwx7xgfnxp.1
title: Sequences of Mycobacterium avium subsp. paratuberculosis isolated from patients in in the Sudan

description: This dataset contains raw data of DNA sequence of Mycobacterium avium subsp. paratuberculosis (MAP) isolates recovered from human patients in Sudan presenting with gastrointestinal complaints. It includes MAP sequences of human samples (from tissue samples and stool samples) and MAP sequences of animal samples. DNA was extracted from MAP cultures, and a fragment of the IS1311 gene was amplified using nested PCR, followed by sequencing.
DOI: 10.22002/g5zfq-a9j12
title: NLBi Fixed 293T

description: wild type, 293T, fixed
description: <strong>Tilt Series Date:</strong> 2014-07-03</p>
<strong>Data Taken By:</strong> Luiza Mendonca</p>
<strong>Species / Specimen:</strong> HIV and deltaNef</p>
<strong>Strain:</strong> </p>
<strong>Tilt Series Settings:</strong>  Single Axis, tilt range: (-60.0°, 60.0°), step: 1.0°, constant angular increment, dosage: 80.0 eV/Å²,  defocus: -8.0 μm,  magnification: 22500x. </p>
<strong>Microscope:</strong> Caltech Polara</p>
<strong>Acquisition Software:</strong> UCSFTomo</p>
<strong>Upload Method:</strong> pipeline</p>
<strong>Processing Software Used:</strong> Raptor</p>
<strong>Purification / Growth Conditions / Treatment:</strong> fixed w/ 1% formaldehyde</p>
description: Files available via S3 at https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/lmm2014-07-03-2/rawdata/</p>L025_3_NLBi_293T_fixed0002.mrc,  Tilt Series (Pixel Size 0.5 nm), 3.4 GB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/lmm2014-07-03-2/rawdata/L025_3_NLBi_293T_fixed0002.mrc"
        > <i class="download icon"></i> Download </a></p>

        L025_3_NLBi_293T_fixed0002_full.rec,  Reconstruction (Pixel Size 2.0 nm), 445.4 MB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/lmm2014-07-03-2/3dimage_44312/L025_3_NLBi_293T_fixed0002_full.rec"
        > <i class="download icon"></i> Download </a></p>
DOI: 10.17632/nmk5yx49m4
title: Cartridge for the Retention of All Pathogens

description: These contents contain the design and methods for using the 3D-printed Cartridge for Retention of All Pathogens (CRAP). CRAP was designed and used by members of the University of Guelph wastewater surveillance team. CRAP is a low-cost, rapid, and easy method to concentrate pathogens from water. CRAP is designed to contain a Keurig K-cup that holds a paper coffee filter. Although it uses an atypical filter, we hypothesized that it effectively captures solid-partitioning pathogens in wastewater.
DOI: 10.22002/eferg-xpe14
title: R. sphaeroides Cryosections

description: Strain JPA 543 cryosections
description: <strong>Tilt Series Date:</strong> 2013-07-26</p>
<strong>Data Taken By:</strong> Ariane Briegel</p>
<strong>Species / Specimen:</strong> Rhodobacter sphaeroides</p>
<strong>Strain:</strong> ATCC 17023</p>
<strong>Tilt Series Settings:</strong>  Single Axis, tilt range: (-60.0°, 60.0°), step: 2°, constant angular increment, dosage: 160.0 eV/Å²,  defocus: -10.0 μm,  magnification: 42000x. </p>
<strong>Microscope:</strong> Janelia Titan</p>
<strong>Acquisition Software:</strong> UCSFTomo</p>
<strong>Upload Method:</strong> pipeline</p>
<strong>Processing Software Used:</strong> Raptor</p>
<strong>Collaborators and Roles:</strong> Mark Ladinsky, Judy Armitage</p>
description: Files available via S3 at ps://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/aba2013-07-26-72/rawdata/</p>rhodobactertestb0030.mrc,  Tilt Series (Pixel Size 0.26 nm), 1.7 GB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/aba2013-07-26-72/rawdata/rhodobactertestb0030.mrc"
        > <i class="download icon"></i> Download </a></p>

        rhodobactertestb0030_part61_34.rec,  Reconstruction (Pixel Size 0.52 nm), 2.8 GB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/aba2013-07-26-72/3dimage_29062/rhodobactertestb0030_part61_34.rec"
        > <i class="download icon"></i> Download </a></p>
DOI: 10.15468/dl.f2v4fs
title: Occurrence Download

description: A dataset containing 99 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Tetrao urogalloides",
 "Country is China",
 "HasCoordinate is true"
 ]
}

 The dataset includes 99 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047159-250811113504898/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17632/nmk5yx49m4.3
title: Cartridge for the Retention of All Pathogens

description: These contents contain the design and methods for using the 3D-printed Cartridge for Retention of All Pathogens (CRAP). CRAP was designed and used by members of the University of Guelph wastewater surveillance team. CRAP is a low-cost, rapid, and easy method to concentrate pathogens from water. CRAP is designed to contain a Keurig K-cup that holds a paper coffee filter. Although it uses an atypical filter, we hypothesized that it effectively captures solid-partitioning pathogens in wastewater.
DOI: 10.17632/84tfxjthgy
title: data1

description: data1
DOI: 10.22002/4x61t-16g32
title: TRIM5-alpha labeled CA tubes

description: Received sample frozen on grids (1/1)
description: <strong>Tilt Series Date:</strong> 2012-11-24</p>
<strong>Data Taken By:</strong> Cora Woodward</p>
<strong>Species / Specimen:</strong> Unspecified</p>
<strong>Strain:</strong> None</p>
<strong>Tilt Series Settings:</strong>  Single Axis, tilt range: (-60.0°, 60.0°), step: 1.0°, constant angular increment, dosage: 150.0 eV/Å²,  defocus: None μm,  magnification: 22500x. </p>
<strong>Microscope:</strong> Caltech Polara</p>
<strong>Acquisition Software:</strong> UCSFTomo</p>
<strong>Upload Method:</strong> pipeline</p>
<strong>Processing Software Used:</strong> Raptor</p>
<strong>Collaborators and Roles:</strong> Sundquist lab (Univ. Utah): Yen-Li Li, Vish Chandrasekaran</p>
description: Files available via S3 at https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/cwl2012-11-24-7/rawdata/</p>12nov24_TRIMCAtube_grid1_1_AT1BT10007.mrc,  Tilt Series (Pixel Size 0.45 nm), 3.4 GB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/cwl2012-11-24-7/rawdata/12nov24_TRIMCAtube_grid1_1_AT1BT10007.mrc"
        > <i class="download icon"></i> Download </a></p>

        12nov24_TRIMCAtube_grid1_1_AT1BT10007_part122_11.rec,  Reconstruction (Pixel Size 1.8 nm), 353.3 MB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/cwl2012-11-24-7/3dimage_23879/12nov24_TRIMCAtube_grid1_1_AT1BT10007_part122_11.rec"
        > <i class="download icon"></i> Download </a></p>
DOI: 10.17632/84tfxjthgy.1
title: data1

description: data1
DOI: 10.17632/yb4m47pstw
title: soil point data

description: Northeast China soil point data
DOI: 10.17632/yb4m47pstw.1
title: soil point data

description: Northeast China soil point data
DOI: 10.22002/3ndqn-57c17
title: R. sphaeroides Cryosections

description: R. sphaeroides Cryosections strain 593
description: <strong>Tilt Series Date:</strong> 2013-10-23</p>
<strong>Data Taken By:</strong> Ariane Briegel</p>
<strong>Species / Specimen:</strong> Rhodobacter sphaeroides</p>
<strong>Strain:</strong> ATCC 17023</p>
<strong>Tilt Series Settings:</strong>  Single Axis, tilt range: (-60.0°, 60.0°), step: 2°, constant angular increment, dosage: 160.0 eV/Å²,  defocus: -10.0 μm,  magnification: 44000x. </p>
<strong>Microscope:</strong> Caltech Polara</p>
<strong>Acquisition Software:</strong> UCSFTomo</p>
<strong>Upload Method:</strong> pipeline</p>
<strong>Processing Software Used:</strong> Raptor</p>
<strong>Collaborators and Roles:</strong> Judith Armitage</p>
description: Files available via S3 at ps://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/aba2013-10-23-73/rawdata/</p>rhodosectionsatlas20020.mrc,  Tilt Series (Pixel Size 0.32 nm), 1.7 GB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/aba2013-10-23-73/rawdata/rhodosectionsatlas20020.mrc"
        > <i class="download icon"></i> Download </a></p>

        rhodosectionsatlas20020_full.rec,  Reconstruction (Pixel Size 0.64 nm), 2.9 GB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/aba2013-10-23-73/3dimage_33181/rhodosectionsatlas20020_full.rec"
        > <i class="download icon"></i> Download </a></p>
DOI: 10.22002/9afcc-s2050
title: CO33

description: pRR53(TsrΔ263-266::ApR) (tar-CheB)∆4346 (tsr)∆5547 (aer)∆1 ygjG::Gm (trg)∆4543 mreB-A125V ∆min::kan thr(Am)-1 leuB6 his-4 metF(Am)159 rpsL136 [thi-1 ara- 14 lacY1 mtl-1 xyl-5 tonA31 tsx-78]skinny-mini,  stable HAMP
description: <strong>Tilt Series Date:</strong> 2014-10-27</p>
<strong>Data Taken By:</strong> Ariane Briegel</p>
<strong>Species / Specimen:</strong> Escherichia coli</p>
<strong>Strain:</strong> </p>
<strong>Tilt Series Settings:</strong>  Single Axis, tilt range: (-60.0°, 60.0°), step: 1°, constant angular increment, dosage: 160.0 eV/Å²,  defocus: -10.0 μm,  magnification: 34000x. </p>
<strong>Acquisition Software:</strong> UCSFTomo</p>
<strong>Upload Method:</strong> pipeline</p>
<strong>Processing Software Used:</strong> Raptor</p>
<strong>Collaborators and Roles:</strong> Sandy Parkinson</p>
<strong>Purification / Growth Conditions / Treatment:</strong> induce with 100 μM IPTG</p>
description: Files available via S3 at https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/aba2014-10-27-27/rawdata/</p>CO33minicell0027.mrc,  Tilt Series (Pixel Size 0.32 nm), 3.4 GB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/aba2014-10-27-27/rawdata/CO33minicell0027.mrc"
        > <i class="download icon"></i> Download </a></p>

        CO33minicell0027_full.rec,  Reconstruction (Pixel Size 1.28 nm), 712.7 MB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/aba2014-10-27-27/3dimage_47724/CO33minicell0027_full.rec"
        > <i class="download icon"></i> Download </a></p>
DOI: 10.22002/1182g-x5192
title: LD 4E

description: low density TarCF-4E on vesicles
description: <strong>Tilt Series Date:</strong> 2014-02-19</p>
<strong>Data Taken By:</strong> Ariane Briegel</p>
<strong>Species / Specimen:</strong> Escherichia coli in vitro</p>
<strong>Strain:</strong> </p>
<strong>Tilt Series Settings:</strong>  Single Axis, tilt range: (-60.0°, 60.0°), step: 2°, constant angular increment, dosage: 160.0 eV/Å²,  defocus: -10.0 μm,  magnification: 34000x. </p>
<strong>Microscope:</strong> Caltech Polara</p>
<strong>Acquisition Software:</strong> UCSFTomo</p>
<strong>Upload Method:</strong> pipeline</p>
<strong>Processing Software Used:</strong> Raptor</p>
<strong>Collaborators and Roles:</strong> Lynmarie Thompson</p>
description: Files available via S3 at https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/aba2014-02-19-1/rawdata/</p>LD4Emanualblot0001.mrc,  Tilt Series (Pixel Size 0.35 nm), 1.7 GB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/aba2014-02-19-1/rawdata/LD4Emanualblot0001.mrc"
        > <i class="download icon"></i> Download </a></p>

        LD4Emanualblot0001_full.rec,  Reconstruction (Pixel Size 1.4 nm), 445.4 MB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/aba2014-02-19-1/3dimage_39127/LD4Emanualblot0001_full.rec"
        > <i class="download icon"></i> Download </a></p>
DOI: 10.14272/sncmxnfcuylaom-uhfffaoysa-n.1
title: C30H18N2S5
title: InChI=1S/C30H18N2S5/c1-4-25(34-22(1)19-9-14-31-15-10-19)27-6-3-24(36-27)21-13-18-33-30(21)29-8-7-28(37-29)26-5-2-23(35-26)20-11-16-32-17-12-20/h1-18H

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C30H18N2S5/c1-4-25(34-22(1)19-9-14-31-15-10-19)27-6-3-24(36-27)21-13-18-33-30(21)29-8-7-28(37-29)26-5-2-23(35-26)20-11-16-32-17-12-20/h1-18H, and canonical SMILES descriptor[cheminf_000007]: n1ccc(cc1)c1ccc(s1)c1ccc(s1)c1sccc1c1ccc(s1)c1ccc(s1)c1ccncc1, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 CC(O)=O
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-55990

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/sncmxnfcuylaom-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C30H18N2S5/c1-4-25(34-22(1)19-9-14-31-15-10-19)27-6-3-24(36-27)21-13-18-33-30(21)29-8-7-28(37-29)26-5-2-23(35-26)20-11-16-32-17-12-20/h1-18H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/sncmxnfcuylaom-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C30H18N2S5/c1-4-25(34-22(1)19-9-14-31-15-10-19)27-6-3-24(36-27)21-13-18-33-30(21)29-8-7-28(37-29)26-5-2-23(35-26)20-11-16-32-17-12-20/h1-18H

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/sncmxnfcuylaom-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C30H18N2S5/c1-4-25(34-22(1)19-9-14-31-15-10-19)27-6-3-24(36-27)21-13-18-33-30(21)29-8-7-28(37-29)26-5-2-23(35-26)20-11-16-32-17-12-20/h1-18H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/sncmxnfcuylaom-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C30H18N2S5/c1-4-25(34-22(1)19-9-14-31-15-10-19)27-6-3-24(36-27)21-13-18-33-30(21)29-8-7-28(37-29)26-5-2-23(35-26)20-11-16-32-17-12-20/h1-18H

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/sncmxnfcuylaom-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C30H18N2S5/c1-4-25(34-22(1)19-9-14-31-15-10-19)27-6-3-24(36-27)21-13-18-33-30(21)29-8-7-28(37-29)26-5-2-23(35-26)20-11-16-32-17-12-20/h1-18H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/sncmxnfcuylaom-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C30H18N2S5/c1-4-25(34-22(1)19-9-14-31-15-10-19)27-6-3-24(36-27)21-13-18-33-30(21)29-8-7-28(37-29)26-5-2-23(35-26)20-11-16-32-17-12-20/h1-18H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/sncmxnfcuylaom-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C30H18N2S5/c1-4-25(34-22(1)19-9-14-31-15-10-19)27-6-3-24(36-27)21-13-18-33-30(21)29-8-7-28(37-29)26-5-2-23(35-26)20-11-16-32-17-12-20/h1-18H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/hmplfcaoijokgx-waywqwqtsa-n.1
title: 2-[(Z)-2-nitroprop-1-enyl]thiophene
title: InChI=1S/C7H7NO2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3/b6-5-

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C7H7NO2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3/b6-5-, and canonical SMILES descriptor[cheminf_000007]: [O-][N+](=O)/C(=C\c1cccs1)/C, and by the IUPAC name[cheminf_000107]: 2-[(Z)-2-nitroprop-1-enyl]thiophene.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 CC(O)=O
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-56046

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/hmplfcaoijokgx-waywqwqtsa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) (2-[(Z)-2-nitroprop-1-enyl]thiophene)
title: InChI=1S/C7H7NO2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3/b6-5-

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/hmplfcaoijokgx-waywqwqtsa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (2-[(Z)-2-nitroprop-1-enyl]thiophene)
title: InChI=1S/C7H7NO2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3/b6-5-

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/hmplfcaoijokgx-waywqwqtsa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (2-[(Z)-2-nitroprop-1-enyl]thiophene)
title: InChI=1S/C7H7NO2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3/b6-5-

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/hmplfcaoijokgx-waywqwqtsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-[(Z)-2-nitroprop-1-enyl]thiophene)
title: InChI=1S/C7H7NO2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3/b6-5-

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/hmplfcaoijokgx-waywqwqtsa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (2-[(Z)-2-nitroprop-1-enyl]thiophene)
title: InChI=1S/C7H7NO2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3/b6-5-

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/hmplfcaoijokgx-waywqwqtsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-[(Z)-2-nitroprop-1-enyl]thiophene)
title: InChI=1S/C7H7NO2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3/b6-5-

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/hmplfcaoijokgx-waywqwqtsa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) (2-[(Z)-2-nitroprop-1-enyl]thiophene)
title: InChI=1S/C7H7NO2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3/b6-5-

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/hlpbpysfvpiheh-uhfffaoysa-n.1
title: C60H76N4S5Si2
title: InChI=1S/C60H76N4S5Si2/c1-5-9-13-17-21-25-33-70(34-26-22-18-14-10-6-2)53-39-51(49-31-29-47(65-49)37-45(41-61)42-62)67-55(53)57-59(70)60-58(69-57)56-54(40-52(68-56)50-32-30-48(66-50)38-46(43-63)44-64)71(60,35-27-23-19-15-11-7-3)36-28-24-20-16-12-8-4/h29-32,37-40H,5-28,33-36H2,1-4H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C60H76N4S5Si2/c1-5-9-13-17-21-25-33-70(34-26-22-18-14-10-6-2)53-39-51(49-31-29-47(65-49)37-45(41-61)42-62)67-55(53)57-59(70)60-58(69-57)56-54(40-52(68-56)50-32-30-48(66-50)38-46(43-63)44-64)71(60,35-27-23-19-15-11-7-3)36-28-24-20-16-12-8-4/h29-32,37-40H,5-28,33-36H2,1-4H3, and canonical SMILES descriptor[cheminf_000007]: CCCCCCCC[Si]1(CCCCCCCC)c2cc(sc2-c2c1c1c(-c3c([Si]1(CCCCCCCC)CCCCCCCC)cc(s3)c1ccc(s1)C=C(C#N)C#N)s2)c1ccc(s1)C=C(C#N)C#N, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 CC(O)=O
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-56291

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations