Heptanoic Acid

1-Hexanecarboxylic acid
CH3-[CH2]5-COOH
enanthic acid
Enanthoic acid
enanthylic acid
Heptansaeure
heptoic acid
heptylic acid
n-heptanoic acid
n-heptoic acid
n-heptylic acid
oenanthic acid
Oenanthsaeure
oenanthylic acid

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	MNWFXJYAOYHMED-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
IUPAC name chemrof:IUPAC_name	Heptanoic Acid
Molecular formula chemrof:molecular_formula	C7H14O2
Molecular mass chemrof:molecular_mass	130.187
Monoisotopic mass chemrof:monoisotopic_mass	130.09938
SMILES string chemrof:smiles_string	CCCCCCC(=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
beilstein	beilstein:1744723	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=111-14-8	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:45571	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.490	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1179	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID2021600	enrich_references.pubchem_identifier_url
DrugBank	https://go.drugbank.com/drugs/DB02938	enrich_references.chebi_xrefs
drugbank.ca	https://www.drugbank.ca/drugs/DB02938	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2192	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL320358	enrich_references.pubchem_identifier_url
femaflavor.org	https://www.femaflavor.org/flavor-library/heptanoic-acid	enrich_references.pubchem_identifier_url
gmelin	gmelin:142428	enrich_references.chebi_xrefs
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/THE3YNP39D	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0000666	enrich_references.chebi_xrefs
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.985B	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/C17714	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C17714	enrich_references.pubchem_identifier_url
LIPID MAPS	https://www.lipidmaps.org/databases/lmsd/LMFA01010007	enrich_references.chebi_xrefs
lipidmaps.org	https://lipidmaps.org/databases/lmsd/LMFA01010007	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=29	enrich_references.pubchem_identifier_url
MetaCyc	https://metacyc.org/compound?orgid=META&id=CPD-7619	enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov	https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C61782	enrich_references.pubchem_identifier_url
pdb-ccd	pdb-ccd:SHV	enrich_references.chebi_xrefs
platform.opentargets.org	https://platform.opentargets.org/drug/CHEMBL320358	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/8094	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#3265	enrich_references.pubchem_identifier_url
PubMed	https://pubmed.ncbi.nlm.nih.gov/23999410	enrich_references.chebi_xrefs
reaxys	reaxys:1744723	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q297592	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Enanthic_acid	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Heptanoic_acid	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
757af398-42db-44de-a292-678a0358adc2	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
38f6a743-eb7b-449c-8e69-0bebb52af976	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
ec8c5e2d-6ca5-4cb7-8d8b-5cc9c187962a	Environmental → Air → Indoor	EF 3.1	kg	4
96b2a6bf-b572-4452-9ed4-2fbe09f36ce5	Environmental → Air → Long-term	EF 3.1	kg	0
ca550e52-e8ab-4fa2-963c-d1dba02015df	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
f376a819-46f5-4e2e-a8ea-b429a9e517a7	Environmental → Air → Unknown	EF 3.1	kg	4
d10a80de-baa3-4315-9d0d-0c6c6fe03e5d	Environmental → Ground → Agricultural	EF 3.1	kg	4
93d43b5a-072a-4434-a6e1-779ccaab8a23	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
8a4b04d9-b69c-4e1d-8bb5-477e57a8ef9d	Environmental → Ground → Unknown	EF 3.1	kg	4
b5499160-45ab-4731-9b9a-91c83c0f514e	Environmental → Water → Long-term	EF 3.1	kg	0
d5bcc9a3-519d-4aad-ab6c-61ed2066054b	Environmental → Water → Ocean	EF 3.1	kg	4
a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea	Environmental → Water → Surface water	EF 3.1	kg	4
5b6a7048-a98f-4e00-ac3b-a4b96f71b79a	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-99796020f3ba73a3",
  "prefLabel": [
    {
      "@value": "Heptanoic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "1-Hexanecarboxylic acid",
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      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=111-14-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "CH3-[CH2]5-COOH",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "enanthic acid",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Enanthoic acid",
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    },
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    {
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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Heptanoic Acid

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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