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 HMDB
The Human Metabolome Database (HMDB) is a freely available
electronic database containing detailed information about small
molecule metabolites found (and experimentally verified) in the
human body.
 The database contains three kinds of data:
 1) chemical data,
 2) clinical data, and
 3) molecular biology/biochemistry data.
 HMDB contains information on more than 6500 metabolites.
 Additionally, approximately 1500 protein (and DNA) sequences
are linked to these metabolite entries.
 Many data fields are hyperlinked to other databases (KEGG,
PubChem, MetaCyc, ChEBI, PDB, Swiss-Prot, and GenBank) and a
variety of structure and pathway viewing applets.
The BiGG database is a metabolic reconstruction
of human metabolism designed for systems
biology simulation and metabolic flux balance
modeling.
 It is a comprehensive literature-based genome-
scale metabolic reconstruction that accounts for
the functions of 1,496 ORFs, 2,004 proteins,
2,766 metabolites, and 3,311 metabolic and
transport reactions.
 It was assembled from build 35 of the human
genome.
 setupX, developed by the Fiehn laboratory at
UC Davis, is a web-based metabolomics LIMS.
 It is XML compatible and built around a
relational database management core.
 It is particularly oriented towards the capture
and display of GC-MS metabolomic data
through its metabolic annotation database
called BinBase.
 for free download of database and source
code
 KEGG (Kyoto Encyclopedia of Genes and Genomes) is one
of the most complete and widely used databases
containing metabolic pathways (372 reference pathwasy)
from a wide variety of organisms (>700).
 These pathways are hyperlinked to metabolite and
protein/enzyme information.
 Currently KEGG has >15,000 compounds (from animals,
plants and bacteria), 7742 drugs (including different salt
forms and drug carriers) and nearly 11,000 glycan
structures.
MetaCyc is a database of nonredundant,
experimentally elucidated metabolic pathways.
 MetaCyc contains more than 1,100 pathways
from more than 1,500 different organisms.
 MetaCyc is curated from the scientific
experimental literature and contains pathways
involved in both primary and secondary
metabolism, as well as associated compounds,
enzymes, and genes.
humanCyc
 is a bioinformatics database that describes the
human metabolic pathways and the human
genome.
 The current version of HumanCyc was
constructed using Build 31 of the human
genome.
 The resulting pathway/genome database (PGDB)
includes information on 28,783 genes, their
products and the metabolic reactions and
pathways they catalyze.
 PubChem
PubChem is a freely available database of chemical structures of
small organic molecules and information on their biological
activities.
 It contains structure, nomenclature and calculated physico-
chemical data and is linked with NIH PubMed/Entrez information.
PubChem is organized as three linked databases within the
NCBI's Entrez information retrieval system.
 These are PubChem Substance, PubChem Compound, and
PubChem BioAssay. PubChem also provides a fast chemical
structure similarity search tool. PubChem has >19 million unique
chemical structures.
 ChEBI
Chemical Entities of Biological Interest (ChEBI) is a freely
available dictionary of molecular entities focused on 'small'
chemical compounds.
 The chemical entities in ChEBI are either products of
nature (metabolites) or synthetic products used to
intervene in the processes of living organisms (drugs or
toxins).
 ChEBI contains structure and nomenclature information
along with hyperlinks to many well-regarded databases.
 ChEBI uses a carefully developed ontological
classification, whereby the relationships between
molecular entities or classes of entities and their parents
and/or children are precisely specified.
 ChEBI has >15,500 chemical entities in its database.
Drug bank
The DrugBank database is a blended bioinformatics and
cheminformatics resource that combines detailed drug (i.e.
chemical, pharmacological and pharmaceutical) data with
comprehensive drug target (i.e. sequence, structure, and
pathway) information.
 The database contains nearly 4800 drug entries including
>1,350 FDA-approved small molecule drugs, 123 FDA-
approved biotech (protein/peptide) drugs, 71
nutraceuticals and >3,243 experimental drugs.
 DrugBank also contains extensive SNP-drug data that is
useful for pharmacogenomics studies.
The Therapeutic Target Database (TTD) is a drug
database designed to provide information about
the known therapeutic protein and nucleic acid
targets described in the literature, the targeted
disease conditions, the pathway information and
the corresponding drugs/ligands directed at each
of these targets.
 The database currently contains 1535 targets and
2107 drugs/ligands.
 The PharmGKB database is a central repository for genetic,
genomic, molecular and cellular phenotype data and
clinical information about people who have participated in
pharmacogenomics research studies.
 The data includes, but is not limited to, clinical and basic
pharmacokinetic and pharmacogenomic research in the
cardiovascular, pulmonary, cancer, pathways, metabolic
and transporter domains.
 Its aim is to aid researchers in understanding how genetic
variation among individuals contributes to differences in
reactions to drugs.
 PharmGKB contains searchable data on genes (>20,000),
diseases (>3000), drugs (>2500) and pathways (53).
 It also has detailed information on 470 genetic variants
(SNP data) affecting drug metabolism.
Chemical Entities of Biological Interest (ChEBI) is a freely available
dictionary of molecular entities focused on 'small' chemical
compounds.
 The chemical entities in ChEBI are either products of nature
(metabolites) or synthetic products used to intervene in the
processes of living organisms (drugs or toxins)
 ChEBI contains structure and nomenclature information along
with hyperlinks to many well-regarded databases.
 ChEBI uses a carefully developed ontological classification,
whereby the relationships between molecular entities or classes
of entities and their parents and/or children are precisely
specified.
 ChEBI has >15,500 chemical entities in its database.
Databases pathways of genomics and proteomics

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Databases pathways of genomics and proteomics

  • 2.  HMDB The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found (and experimentally verified) in the human body.  The database contains three kinds of data:  1) chemical data,  2) clinical data, and  3) molecular biology/biochemistry data.  HMDB contains information on more than 6500 metabolites.  Additionally, approximately 1500 protein (and DNA) sequences are linked to these metabolite entries.  Many data fields are hyperlinked to other databases (KEGG, PubChem, MetaCyc, ChEBI, PDB, Swiss-Prot, and GenBank) and a variety of structure and pathway viewing applets.
  • 3. The BiGG database is a metabolic reconstruction of human metabolism designed for systems biology simulation and metabolic flux balance modeling.  It is a comprehensive literature-based genome- scale metabolic reconstruction that accounts for the functions of 1,496 ORFs, 2,004 proteins, 2,766 metabolites, and 3,311 metabolic and transport reactions.  It was assembled from build 35 of the human genome.
  • 4.  setupX, developed by the Fiehn laboratory at UC Davis, is a web-based metabolomics LIMS.  It is XML compatible and built around a relational database management core.  It is particularly oriented towards the capture and display of GC-MS metabolomic data through its metabolic annotation database called BinBase.  for free download of database and source code
  • 5.  KEGG (Kyoto Encyclopedia of Genes and Genomes) is one of the most complete and widely used databases containing metabolic pathways (372 reference pathwasy) from a wide variety of organisms (>700).  These pathways are hyperlinked to metabolite and protein/enzyme information.  Currently KEGG has >15,000 compounds (from animals, plants and bacteria), 7742 drugs (including different salt forms and drug carriers) and nearly 11,000 glycan structures.
  • 6. MetaCyc is a database of nonredundant, experimentally elucidated metabolic pathways.  MetaCyc contains more than 1,100 pathways from more than 1,500 different organisms.  MetaCyc is curated from the scientific experimental literature and contains pathways involved in both primary and secondary metabolism, as well as associated compounds, enzymes, and genes.
  • 7. humanCyc  is a bioinformatics database that describes the human metabolic pathways and the human genome.  The current version of HumanCyc was constructed using Build 31 of the human genome.  The resulting pathway/genome database (PGDB) includes information on 28,783 genes, their products and the metabolic reactions and pathways they catalyze.
  • 8.  PubChem PubChem is a freely available database of chemical structures of small organic molecules and information on their biological activities.  It contains structure, nomenclature and calculated physico- chemical data and is linked with NIH PubMed/Entrez information. PubChem is organized as three linked databases within the NCBI's Entrez information retrieval system.  These are PubChem Substance, PubChem Compound, and PubChem BioAssay. PubChem also provides a fast chemical structure similarity search tool. PubChem has >19 million unique chemical structures.
  • 9.  ChEBI Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular entities focused on 'small' chemical compounds.  The chemical entities in ChEBI are either products of nature (metabolites) or synthetic products used to intervene in the processes of living organisms (drugs or toxins).  ChEBI contains structure and nomenclature information along with hyperlinks to many well-regarded databases.  ChEBI uses a carefully developed ontological classification, whereby the relationships between molecular entities or classes of entities and their parents and/or children are precisely specified.  ChEBI has >15,500 chemical entities in its database.
  • 10. Drug bank The DrugBank database is a blended bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information.  The database contains nearly 4800 drug entries including >1,350 FDA-approved small molecule drugs, 123 FDA- approved biotech (protein/peptide) drugs, 71 nutraceuticals and >3,243 experimental drugs.  DrugBank also contains extensive SNP-drug data that is useful for pharmacogenomics studies.
  • 11. The Therapeutic Target Database (TTD) is a drug database designed to provide information about the known therapeutic protein and nucleic acid targets described in the literature, the targeted disease conditions, the pathway information and the corresponding drugs/ligands directed at each of these targets.  The database currently contains 1535 targets and 2107 drugs/ligands.
  • 12.  The PharmGKB database is a central repository for genetic, genomic, molecular and cellular phenotype data and clinical information about people who have participated in pharmacogenomics research studies.  The data includes, but is not limited to, clinical and basic pharmacokinetic and pharmacogenomic research in the cardiovascular, pulmonary, cancer, pathways, metabolic and transporter domains.  Its aim is to aid researchers in understanding how genetic variation among individuals contributes to differences in reactions to drugs.  PharmGKB contains searchable data on genes (>20,000), diseases (>3000), drugs (>2500) and pathways (53).  It also has detailed information on 470 genetic variants (SNP data) affecting drug metabolism.
  • 13. Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular entities focused on 'small' chemical compounds.  The chemical entities in ChEBI are either products of nature (metabolites) or synthetic products used to intervene in the processes of living organisms (drugs or toxins)  ChEBI contains structure and nomenclature information along with hyperlinks to many well-regarded databases.  ChEBI uses a carefully developed ontological classification, whereby the relationships between molecular entities or classes of entities and their parents and/or children are precisely specified.  ChEBI has >15,500 chemical entities in its database.