Consensus flow list

Identity

Type
Neutral molecule
CAS
98-89-5
EC
202-711-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Cyclohexanecarboxylic Acid

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NZNMSOFKMUBTKW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
IUPAC name chemrof:IUPAC_name Cyclohexanecarboxylic Acid
Molecular formula chemrof:molecular_formula C7H12O2
Molecular mass chemrof:molecular_mass 128.171
Monoisotopic mass chemrof:monoisotopic_mass 128.08373
SMILES string chemrof:smiles_string O=C(O)C1CCCCC1

Known URLs

19

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:970529 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=98-89-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:36096 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.465 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8059180 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=452 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/cyclohexanecarboxylic-acid enrich_references.pubchem_identifier_url
gmelin gmelin:50010 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/H9VKD9VL18 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031342 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.185C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C09822 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C09822 enrich_references.pubchem_identifier_url
knapsack knapsack:C00000334 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44837 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7413 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/21459409 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q5198713 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Cyclohexanecarboxylic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
449b2139-0074-443a-8107-9ee6ea4e96c4 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
03bdda66-9b45-4f8f-be6c-4684ce204529 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
11d505dc-fad4-4052-b33f-6cdefde65a9b Environmental → Air → Indoor EF 3.1 kg 2
65e742ff-04f2-4179-9434-148989746c3f Environmental → Air → Long-term EF 3.1 kg 0
7d16d33b-5a35-46e2-ba61-25968f21103a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0560966c-e6d6-455a-b4ac-985a034002aa Environmental → Air → Unknown EF 3.1 kg 2
02ee589d-d112-4b04-aff3-54f213e0d4bf Environmental → Ground → Agricultural EF 3.1 kg 2
4edb590f-bb85-4224-bfa9-a99045e1601e Environmental → Ground → Non-agricultural EF 3.1 kg 2
902790c9-c512-4fce-ab2c-19bb69758e68 Environmental → Ground → Unknown EF 3.1 kg 2
46f6102a-c44e-4e8f-87e5-de1d2fe2637e Environmental → Water → Long-term EF 3.1 kg 0
409cf48e-5f98-45f1-8ab7-4a3474a11b6c Environmental → Water → Ocean EF 3.1 kg 2
d526613f-8648-4d0f-9917-bc912288b980 Environmental → Water → Surface water EF 3.1 kg 2
41050d77-85ed-4a55-bcf3-99f14cc3d503 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
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  "altLabel": [
    {
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    },
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