Consensus flow list

Identity

Type
Neutral molecule
CAS
80-56-8
EC
201-291-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Pin-2(3)-ene

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GRWFGVWFFZKLTI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
IUPAC name chemrof:IUPAC_name Pin-2(3)-ene
Molecular formula chemrof:molecular_formula C10H16
Molecular mass chemrof:molecular_mass 136.238
Monoisotopic mass chemrof:monoisotopic_mass 136.1252, 136.125201
SMILES string chemrof:smiles_string CC1=CCC2CC1C2(C)C

Known URLs

31

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
bpdb bpdb:2017 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25766-18-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=6993-66-4 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=80-56-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:36740 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.175 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.678 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4026501 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB15573 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7727 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=94522 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=94523 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL442565 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/alpha-pinene enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0302508 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.210G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C09880 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C09880 enrich_references.pubchem_identifier_url
knapsack knapsack:C00000805 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMPR0102120017 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=134074 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=Alpha-pinene enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6654 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2368 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11868675 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23513743 enrich_references.chebi_xrefs
reaxys reaxys:3194807 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/2362183 enrich_references.pubchem_identifier_url
umbbd.compound umbbd.compound:c0634 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27104380 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Alpha-Pinene enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
7ad7f6b0-76be-4e11-95e2-3513a94cc11d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1eaa735e-104a-4e85-b38a-611d9547e38b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
04be7ae2-94c7-4270-9da1-a3e90bde0678 Environmental → Air → Indoor EF 3.1 kg 2
9113bbab-8d71-4460-8362-87e0aace796f Environmental → Air → Long-term EF 3.1 kg 0
528c9a50-5332-4632-80a7-7fb04d258459 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0a701083-c7e6-43d1-8ae5-e62050edc5dc Environmental → Air → Unknown EF 3.1 kg 2
033ca5e6-bd69-4a86-bdc5-2dd5187c7a57 Environmental → Ground → Agricultural EF 3.1 kg 2
a3b5057b-1872-44e9-9465-f96ed1eb1199 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4b336f2c-e187-4a4c-b5ac-6c2aa35cbc57 Environmental → Ground → Unknown EF 3.1 kg 2
207ae02b-195f-4d91-9e4d-51ec81ae773a Environmental → Water → Long-term EF 3.1 kg 0
4c2fe7e7-288d-4f5b-8b2f-098b376a3f9d Environmental → Water → Ocean EF 3.1 kg 2
46dcb180-c5f7-49ca-bb29-6329d73d3af4 Environmental → Water → Surface water EF 3.1 kg 2
207d277b-6a3b-433f-ac30-2a063d0ef443 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
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  "altLabel": [
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    {
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    },
    {
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