Consensus flow list

6-n-octanoyl(2s)-2,6-diaminohexanoic Acid

fo-4e096fc4d6a06f29

Identity

Type
Neutral molecule
CAS
23735-96-8
EC
245-854-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 6-n-octanoyl(2s)-2,6-diaminohexanoic Acid

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DUZODDYGMSCYMJ-LBPRGKRZSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H28N2O3/c1-2-3-4-5-6-10-13(17)16-11-8-7-9-12(15)14(18)19/h12H,2-11,15H2,1H3,(H,16,17)(H,18,19)/t12-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CCCCCCCC(=O)NCCCC[C@H](N)C(=O)O
IUPAC name chemrof:IUPAC_name N6-Capryloyl-L-lysine
Molecular formula chemrof:molecular_formula C14H28N2O3
Molecular mass chemrof:molecular_mass 272.389
Monoisotopic mass chemrof:monoisotopic_mass 272.209993
SMILES string chemrof:smiles_string CCCCCCCC(=O)NCCCCC(N)C(=O)O

Known URLs

7

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=23735-96-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.041.671 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00946530 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZN63B464FZ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J242.659E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/90242 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27295773 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
670e6601-fa4f-418b-a5e0-03df7ee31c91 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
cf4e4e27-dd5a-4434-a58c-d6e652b24c37 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c7c3392a-c51f-4a75-8433-acd9a990077e Environmental → Air → Indoor EF 3.1 kg 2
91b00094-8f91-4bde-b387-b84c5eaec10c Environmental → Air → Long-term EF 3.1 kg 0
95549e0d-0fad-416f-9447-c23479e4f478 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
efcb31a9-1b56-4472-a8ad-599106f77e32 Environmental → Air → Unknown EF 3.1 kg 2
369827c6-b7dd-457f-a98d-1f0d5dc9ad53 Environmental → Ground → Agricultural EF 3.1 kg 2
5e92f7b2-0087-46dc-a7d2-1f4c89f3cfcb Environmental → Ground → Non-agricultural EF 3.1 kg 2
5c232dea-639f-4d9c-8672-a02e5a191084 Environmental → Ground → Unknown EF 3.1 kg 2
d30afa28-6805-48a0-ae64-2bcb80f9614c Environmental → Water → Long-term EF 3.1 kg 0
e251d3a1-e387-4f72-8d24-0c8d7a8491ca Environmental → Water → Ocean EF 3.1 kg 2
a378ca32-0c89-403a-bf53-5e267bd359ed Environmental → Water → Surface water EF 3.1 kg 2
8227c9d4-7e14-4b68-b607-538ac29f4163 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
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      "@value": "Amihope OL",
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    {
      "@value": "Lysine, N6-octanoyl-",
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