U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H12O2
Molecular Weight 128.169
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-HEPTENOIC ACID, (2E)-

SMILES

CCCC\C=C\C(O)=O

InChI

InChIKey=YURNCBVQZBJDAJ-AATRIKPKSA-N
InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/b6-5+

HIDE SMILES / InChI

Molecular Formula C7H12O2
Molecular Weight 128.169
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Glucuronidation of statins in animals and humans: a novel mechanism of statin lactonization.
2002 May
Long-term use of rosuvastatin: a critical risk benefit appraisal and comparison with other antihyperlipidemics.
2009
Critical appraisal of the role of pitavastatin in treating dyslipidemias and achieving lipid goals.
2009
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:14:30 GMT 2023
Edited
by admin
on Fri Dec 15 18:14:30 GMT 2023
Record UNII
1IB74EZ67V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HEPTENOIC ACID, (2E)-
Common Name English
FEMA NO. 3920
Code English
(E)-2-HEPTENOIC ACID [FHFI]
Common Name English
(E)-2-HEPTENOIC ACID
FHFI  
Systematic Name English
E-2-HEPTENOIC ACID
Systematic Name English
2-HEPTENOIC ACID, TRANS-
Common Name English
2-HEPTENOIC ACID, (E)-
Common Name English
NSC-244947
Code English
TRANS-2-HEPTENOIC ACID
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION (E)-2-HEPTENOIC ACID
Created by admin on Fri Dec 15 18:14:30 GMT 2023 , Edited by admin on Fri Dec 15 18:14:30 GMT 2023
Code System Code Type Description
PUBCHEM
5282709
Created by admin on Fri Dec 15 18:14:30 GMT 2023 , Edited by admin on Fri Dec 15 18:14:30 GMT 2023
PRIMARY
FDA UNII
1IB74EZ67V
Created by admin on Fri Dec 15 18:14:30 GMT 2023 , Edited by admin on Fri Dec 15 18:14:30 GMT 2023
PRIMARY
NSC
244947
Created by admin on Fri Dec 15 18:14:30 GMT 2023 , Edited by admin on Fri Dec 15 18:14:30 GMT 2023
PRIMARY
ECHA (EC/EINECS)
233-769-8
Created by admin on Fri Dec 15 18:14:30 GMT 2023 , Edited by admin on Fri Dec 15 18:14:30 GMT 2023
PRIMARY
JECFA MONOGRAPH
1372
Created by admin on Fri Dec 15 18:14:30 GMT 2023 , Edited by admin on Fri Dec 15 18:14:30 GMT 2023
PRIMARY
CHEBI
38364
Created by admin on Fri Dec 15 18:14:30 GMT 2023 , Edited by admin on Fri Dec 15 18:14:30 GMT 2023
PRIMARY
CAS
10352-88-2
Created by admin on Fri Dec 15 18:14:30 GMT 2023 , Edited by admin on Fri Dec 15 18:14:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID80893639
Created by admin on Fri Dec 15 18:14:30 GMT 2023 , Edited by admin on Fri Dec 15 18:14:30 GMT 2023
PRIMARY