Caproic acid

SFA6:0

  Overview

Stats

SFA
Type
6
Carbons
0
Double bonds
0
Bis-allylic sites
116.16
Weight · g/mol
-3 °C
Melting point
C6H12O2
Formula

Also known as

IUPAC hexanoic acid

  At a Glance

Key Points

Named from the Latin for goat (its smell); found in animal fats and part of the aroma of vanilla and cheese.

Source

Found in dairy.

Type

Short-chain saturated fatty acid with 6 carbons and no double bonds.

Identification

  Synonyms

Common Name Caproic acid
IUPAC Name hexanoic acid
Traditional Name —
Other Synonyms No other synonyms recorded.

  External IDs

General References
Wikipedia Caproic_acid
Lipids
Lipid Maps LMFA01010006
Lipid Bank DFA0006
Swiss Lipids 000001196
PlantFA ID —
Food & Nutrition
FooDB FDB013897
INFOODS —
Chemistry / Compounds
PubChem CID 8892
CAS 142-62-1
ChEBI 30776
ChEMBL CHEMBL14184
ChemSpider 3599616
InChIKey —
ZINC ID ZINC000001529230
NIKKAJI ID J2.546A
PDBe 6NA
UCI (UniChem) 8014
SureChEMBL 3867
CCDC ISENID
NMRShiftDB 10008717
Metabolites & Pathways
HMDB HMDB0000535
METLIN 5520
RefMet ID Caproic acid
RefMet Name —
MetaboLights ID MTBLS10446
BioCyc/MetaCyc HEXANOATE
MetaNetX ID MNXM1653
BiGG ID —
KEGG C01585
KNApSAcK C00001218
Reactome ID —
Drugs & Pharmacology
DrugBank —
DrugCentral —
BindingDB 16433
Guide to Pharm —
Probes & Drugs PD099028
Clinical & Medical
SNOMED-CT —
MeSH C037652
NCIt Code C68330
Regulatory
NIH UNII (USA) 1F8SN134MX
FDA SRS (USA) 1F8SN134MX
NHPID (Canada) —
DTXSID (USA) DTXSID7021607
TGA Ing ID (Australia) —
Commercial Suppliers
MolPort Molport-001-769-761
eMolecules 483343
Mcule MCULE-1671810139
ChemicalBook CB3224164
MedChemExpress —

Chemical Properties

Name(s):
Common Name Caproic acid
Simple Notation 6:0
Notation 6:0
IUPAC Name hexanoic acid
Structure:
Molecular C6H12O2
Structure CH3(CH2)4COOH
SMILES CCCCCC(=O)O
Physical:
Weight 116.16 g/mol
Melting Point -3 °C
Reactivity
Double Bonds 0
Bis-Allylic Carbons 0
Beta-Oxidation
Beta Oxidation Cycles 2
ATP Yield (Net) 34 ATP