Valeric Acid

1-butanecarboxylic acid
CH3-[CH2]3-COOH
n-BuCOOH
n-Pentanoate
n-pentanoic acid
n-Valeric acid
Pentanoate
PENTANOIC ACID
pentoic acid
propylacetic acid
Valerate
Valerianic acid
Valeriansaeure
valeric acid, normal

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	NQPDZGIKBAWPEJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
IUPAC name chemrof:IUPAC_name	pentanoic acid, valeric acid
Molecular formula chemrof:molecular_formula	C5H10O2
Molecular mass chemrof:molecular_mass	102.133
Monoisotopic mass chemrof:monoisotopic_mass	102.06808
SMILES string chemrof:smiles_string	CCCCC(=O)O

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=109-52-4	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17418	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.344	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0346	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID7021655	enrich_references.pubchem_identifier_url
DrugBank	https://go.drugbank.com/drugs/DB02406	enrich_references.chebi_xrefs
drugbank.ca	https://www.drugbank.ca/drugs/DB02406	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=406833	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL268736	enrich_references.pubchem_identifier_url
femaflavor.org	https://www.femaflavor.org/flavor-library/valeric-acid	enrich_references.pubchem_identifier_url
gmelin	gmelin:26714	enrich_references.chebi_xrefs
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GZK92PJM7B	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0000892	enrich_references.chebi_xrefs
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.504K	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/C00803	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C00803	enrich_references.pubchem_identifier_url
knapsack	knapsack:C00001208	enrich_references.chebi_xrefs
LIPID MAPS	https://www.lipidmaps.org/databases/lmsd/LMFA01010005	enrich_references.chebi_xrefs
lipidmaps.org	https://lipidmaps.org/databases/lmsd/LMFA01010005	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=27	enrich_references.pubchem_identifier_url
pdb-ccd	pdb-ccd:LEA	enrich_references.chebi_xrefs
platform.opentargets.org	https://platform.opentargets.org/drug/CHEMBL268736	enrich_references.pubchem_identifier_url
ppdb	ppdb:3130	enrich_references.chebi_xrefs
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/7991	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#3265	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017600	enrich_references.pubchem_identifier_url
PubMed	https://pubmed.ncbi.nlm.nih.gov/20507156	enrich_references.chebi_xrefs
reaxys	reaxys:969454	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q407796	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Valeric_acid	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
7035920d-7141-4f29-9184-0bd78b683ed6	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
44e5dc05-1ce7-4dde-88db-39f09712ad97	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
4eee88c0-01b2-423c-bd2c-f198ad50d26f	Environmental → Air → Indoor	EF 3.1	kg	2
067595c0-452e-4992-8099-3bd2c40c5985	Environmental → Air → Long-term	EF 3.1	kg	0
324d9bbb-5c31-4aa9-9653-4bf52fe72de8	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
1114c4b3-9ab6-4f68-9484-9154a7d558ee	Environmental → Air → Unknown	EF 3.1	kg	2
69f6506c-b6be-4aa8-a0b0-7b4bdd44734f	Environmental → Ground → Agricultural	EF 3.1	kg	2
eb6247a5-39cb-4478-bcda-5276a6fb81d5	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
05ec7154-4c88-42fa-abc7-cd100977ac9b	Environmental → Ground → Unknown	EF 3.1	kg	2
9154de3c-8f26-47a0-ad19-cd76545e04ad	Environmental → Water → Long-term	EF 3.1	kg	0
e70e102e-cbd6-48f1-bd30-63f740ed05a9	Environmental → Water → Ocean	EF 3.1	kg	2
d4f190f8-02b8-4bf6-8446-928fbec4b0ca	Environmental → Water → Surface water	EF 3.1	kg	2
5dddd1e0-cd90-4301-823d-bd6f6f26bf95	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-ed0adf1145f4754c",
  "prefLabel": [
    {
      "@value": "Valeric Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-butanecarboxylic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_17418"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "CH3-[CH2]3-COOH",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "n-BuCOOH",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "n-Pentanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "n-pentanoic acid",
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    },
    {
      "@value": "n-Valeric acid",
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    },
    {
      "@value": "Pentanoate",
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    },
    {
      "@value": "PENTANOIC ACID",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "pentoic acid",
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      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "propylacetic acid",
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    {
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    },
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    },
    {
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Valeric Acid

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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