Welcome on the MetaboCloud catalog
ChEBI
Chemical Entities
Data Storage Service
InChI Key
Molfile
PNG
InDex - RESTful API
REST-API to retrieve metabolite structure/representation files from customized S3 storage containing data from different communities.
-
details
Swagger
ReadTheDocs
InDex is a REST API for retrieving metabolite structure/representation files from a custom S3 storage containing data from different communities. Currently, only one community is available : "chebi" which contains files from the Chemical Entities of Biological Interest (ChEBI) database. Two types of files are available in this community: PNG images and MOL files of compounds.
version: 1.0.0
commit: bc89738639b2e9e7c559d42bd09aa67a44984cfd (bc897386)
build timestamp: 2025-07-01 14:30:14 (bc897386)
license: MIT License
microservice authors: Faustine SOUC
algorithm authors: Faustine SOUC
code repository: https://git.mesocentre.uca.fr/unh-metabocloud/index-api/
publications:
N/A
Annotation
JSON
Web Service
hmdb-proxy
Request a compound from HMDB
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details
Swagger
ReadTheDocs
Fetch data from HMDB to format data nicely
version: 0.0.1-SNAPSHOT
commit: 4117de6b55f2a3f9bf9cfca4544b8101e6632845 (4117de6b)
build timestamp: @timestamp@ (4117de6b)
license: 1312
microservice authors: Erina Point
algorithm authors: 1312
code repository: https://git.mesocentre.uca.fr/unh-metabocloud/hmdb-proxy
publications:
https://doi.org/10.1093/nar/gkab1062
Annotation
Curation
JSON
Lipidomics
Metabolomics
Web Service
Goslin - RESTful API
Translates lipid names into a standardized name according to lipid shorthand nomenclature.
-
details
Swagger
ReadTheDocs
Goslin « Grammar of Succinct LIpid Nomenclature » is a tool which translates lipid names into a standardized name according to the lipid shorthand nomenclature. It also generates related information such as the category and the class of the lipid, the nomenclature level of the standardized lipid name, the mass of the lipid and the sum formula.
version: 2.1.5
commit: a62f62ab9cfb0767841853a0b42b2aab29cdca86 (a62f62ab)
build timestamp: 2025-07-03 10:58:49 (a62f62ab)
license:
microservice authors: Faustine SOUC
algorithm authors: Dominik KOPCZYNSKI, Hoffmann Nils HOFFMANN et al.
code repository: https://git.mesocentre.uca.fr/unh-metabocloud/goslin
publications:
https://doi.org/10.1021/acs.analchem.1c05430
https://doi.org/10.1021/acs.analchem.0c01690
Annotation
JSON
Web Service
InChI - RESTful API
Produce InChI/InChIKey identifiers of chemical compounds.
-
details
Swagger
ReadTheDocs
Produce InChI/InChIKey identifiers of chemical compounds from a MOL or a SDF file.
version: 1.06
commit: f485920f11006ccbcd3f2d93377103d43ce2a657 (f485920f)
build timestamp: 2024-05-13 13:14:48 (f485920f)
license: IUPAC/InChI Trust InChI License No. 1.0
microservice authors: Faustine SOUC
algorithm authors: International Union of Pure and Applied Chemistry (IUPAC) and the InChI Trust
code repository: https://git.mesocentre.uca.fr/unh-metabocloud/inchi-api/
publications:
https://doi.org/10.1186/s13321-015-0068-4
Annotation
Cheminformatics
JSON
Web Service
CDK - RESTful API
Compute chemical properties, depict or convert a molecule.
-
details
Swagger
ReadTheDocs
This project is based on CDK "Chemistry Development Kit", a set of open-source tools providing structural data to represent molecules, as well as methods to study these structures and perform calculations. However, this REST API only focuses on certain functionalities of this tool : the calculation of some chemical properties (raw formula, monoisotopic and average masses, canonical and stereochemical SMILES, InChI and InChI key, and LogP), the depiction of a molecule in PNG or SVG format, and the conversion of one molecular structure format into another (InChI, InChI Key, MOL, SDF). All three functionalities use the same kind of input which are an InChI, a plain text MOL, a MOL file, a SDF file.
version: 2.9.0
commit: 9d55dc6149f25f0a445cbed4e98c076c5a699468 (9d55dc61)
build timestamp: 2025-02-03 08:03:40 (9d55dc61)
license: GNU Lesser General Public License v2.1
microservice authors: Faustine SOUC, Nils PAULHE
algorithm authors: The CDK Development Team
code repository: https://git.mesocentre.uca.fr/unh-metabocloud/cdk-api/
publications:
https://doi.org/10.1021/ci025584y
https://doi.org/10.1186/s13321-017-0220-4
Annotation
JSON
Web Service
hmdb-api
Demo project for Spring Boot
-
details
Swagger
ReadTheDocs
Request data from hmdb proxy and store them
version: 0.0.1-SNAPSHOT
commit: @git.commit.id@ (@git.com)
build timestamp: @timestamp@ (@git.com)
license: 1312
microservice authors: Erina Point
algorithm authors: 1312
code repository: https://git.mesocentre.uca.fr/unh-metabocloud/hmdb-api
publications:
https://doi.org/10.1093/nar/gkab1062
keyword1
keyword2
keyword3
Fake - RESTful API
Fake API for authorization dev
-
details
Swagger
ReadTheDocs
Long Description
version: 1.0.0
commit: 938ea1455cbac1093d92fcc98ec570f5e49db376 (938ea145)
build timestamp: 2025-06-06 07:41:41 (938ea145)
license: License name
microservice authors: Authors of the microservice
algorithm authors: Authors of the tool
code repository: https://git.mesocentre.uca.fr/unh-metabocloud/fake-api/
InDex - RESTful API
REST-API to retrieve metabolite structure/representation files from customized S3 storage containing data from different communities.
-
details
Swagger
ReadTheDocs
InDex is a REST API for retrieving metabolite structure/representation files from a custom S3 storage containing data from different communities. Currently, only one community is available : "chebi" which contains files from the Chemical Entities of Biological Interest (ChEBI) database. Two types of files are available in this community: PNG images and MOL files of compounds.
version: 1.0.0
commit: bc89738639b2e9e7c559d42bd09aa67a44984cfd (bc897386)
build timestamp: 2025-07-01 14:30:14 (bc897386)
license: MIT License
microservice authors: Faustine SOUC
algorithm authors: Faustine SOUC
code repository: https://git.mesocentre.uca.fr/unh-metabocloud/index-api/
publications: N/A
hmdb-proxy
Request a compound from HMDB
-
details
Swagger
ReadTheDocs
Fetch data from HMDB to format data nicely
version: 0.0.1-SNAPSHOT
commit: 4117de6b55f2a3f9bf9cfca4544b8101e6632845 (4117de6b)
build timestamp: @timestamp@ (4117de6b)
license: 1312
microservice authors: Erina Point
algorithm authors: 1312
code repository: https://git.mesocentre.uca.fr/unh-metabocloud/hmdb-proxy
publications: https://doi.org/10.1093/nar/gkab1062
Goslin - RESTful API
Translates lipid names into a standardized name according to lipid shorthand nomenclature.
-
details
Swagger
ReadTheDocs
Goslin « Grammar of Succinct LIpid Nomenclature » is a tool which translates lipid names into a standardized name according to the lipid shorthand nomenclature. It also generates related information such as the category and the class of the lipid, the nomenclature level of the standardized lipid name, the mass of the lipid and the sum formula.
version: 2.1.5
commit: a62f62ab9cfb0767841853a0b42b2aab29cdca86 (a62f62ab)
build timestamp: 2025-07-03 10:58:49 (a62f62ab)
license:
microservice authors: Faustine SOUC
algorithm authors: Dominik KOPCZYNSKI, Hoffmann Nils HOFFMANN et al.
code repository: https://git.mesocentre.uca.fr/unh-metabocloud/goslin
publications: https://doi.org/10.1021/acs.analchem.1c05430 https://doi.org/10.1021/acs.analchem.0c01690
InChI - RESTful API
Produce InChI/InChIKey identifiers of chemical compounds.
-
details
Swagger
ReadTheDocs
Produce InChI/InChIKey identifiers of chemical compounds from a MOL or a SDF file.
version: 1.06
commit: f485920f11006ccbcd3f2d93377103d43ce2a657 (f485920f)
build timestamp: 2024-05-13 13:14:48 (f485920f)
license: IUPAC/InChI Trust InChI License No. 1.0
microservice authors: Faustine SOUC
algorithm authors: International Union of Pure and Applied Chemistry (IUPAC) and the InChI Trust
code repository: https://git.mesocentre.uca.fr/unh-metabocloud/inchi-api/
publications: https://doi.org/10.1186/s13321-015-0068-4
CDK - RESTful API
Compute chemical properties, depict or convert a molecule.
-
details
Swagger
ReadTheDocs
This project is based on CDK "Chemistry Development Kit", a set of open-source tools providing structural data to represent molecules, as well as methods to study these structures and perform calculations. However, this REST API only focuses on certain functionalities of this tool : the calculation of some chemical properties (raw formula, monoisotopic and average masses, canonical and stereochemical SMILES, InChI and InChI key, and LogP), the depiction of a molecule in PNG or SVG format, and the conversion of one molecular structure format into another (InChI, InChI Key, MOL, SDF). All three functionalities use the same kind of input which are an InChI, a plain text MOL, a MOL file, a SDF file.
version: 2.9.0
commit: 9d55dc6149f25f0a445cbed4e98c076c5a699468 (9d55dc61)
build timestamp: 2025-02-03 08:03:40 (9d55dc61)
license: GNU Lesser General Public License v2.1
microservice authors: Faustine SOUC, Nils PAULHE
algorithm authors: The CDK Development Team
code repository: https://git.mesocentre.uca.fr/unh-metabocloud/cdk-api/
publications: https://doi.org/10.1021/ci025584y https://doi.org/10.1186/s13321-017-0220-4
hmdb-api
Demo project for Spring Boot
-
details
Swagger
ReadTheDocs
Request data from hmdb proxy and store them
version: 0.0.1-SNAPSHOT
commit: @git.commit.id@ (@git.com)
build timestamp: @timestamp@ (@git.com)
license: 1312
microservice authors: Erina Point
algorithm authors: 1312
code repository: https://git.mesocentre.uca.fr/unh-metabocloud/hmdb-api
publications: https://doi.org/10.1093/nar/gkab1062
Fake - RESTful API
Fake API for authorization dev
-
details
Swagger
ReadTheDocs
Long Description
version: 1.0.0
commit: 938ea1455cbac1093d92fcc98ec570f5e49db376 (938ea145)
build timestamp: 2025-06-06 07:41:41 (938ea145)
license: License name
microservice authors: Authors of the microservice
algorithm authors: Authors of the tool
code repository: https://git.mesocentre.uca.fr/unh-metabocloud/fake-api/