(Q27127173)

2-OCTYNOIC ACID (English)

6 October 2016

chemical formula

C₈H₁₂O₂

1 reference

2-OCTYNOIC ACID (English)

6 October 2016

canonical SMILES

CCCCCC#CC(=O)O

1 reference

2-OCTYNOIC ACID (English)

InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-5H2,1H3,(H,9,10)

6 October 2016

Identifiers

InChI

1 reference

2-OCTYNOIC ACID (English)

6 October 2016

2 references

2-OCTYNOIC ACID (English)

6 October 2016

stated in

ChEBI release 2020-09-01

2 references

2-octynoic acid (English)

6 October 2016

https://commonchemistry.cas.org/detail?cas_rn=5663-96-7

9 April 2021

1 reference

2-Octynoic acid (English)

6 October 2016

2 references

2-OCTYNOIC ACID (English)

6 October 2016

ChEBI ID

60295

mapping relation type

2 references

2-octynoic acid (English)

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-5H2,1H3,(H,9,10)

SureChEMBL ID

SCHEMBL1088244

2 references

based on heuristic

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references

DSSTOX compound identifier

0 references

0 references

227-121-3

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.024.656

27 December 2018

ECHA Substance Infocard ID

Oct-2-ynoic acid (English)

quotation

CAS no.: 5663-96-7 (English)

100.024.656

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.024.656

27 December 2018

Human Metabolome Database ID

Oct-2-ynoic acid (English)

quotation

CAS no.: 5663-96-7 (English)

HMDB0245278

2 references

based on heuristic

inferred from InChIKey

UNII

I7TMI3HR1Y

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

1 reference

30 June 2018

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

137475