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

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 « 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

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

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

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

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/

publications: url1 url2