Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:142681 -
N
-octanoylglycinate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
N
-octanoylglycinate
ChEBI ID
CHEBI:142681
ChEBI ASCII Name
N-octanoylglycinate
Definition
An
N
-acylglycinate resulting from the deprotonation of the carboxy group of
N
-octanoylglycine. The conjugate base of
N
-octanoylglycine; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Nevila Nouspikel
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C10H18NO3
Net Charge
-1
Average Mass
200.255
Monoisotopic Mass
200.12922
InChI
InChI=1S/C10H19NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)/p-1
InChIKey
SAVLIIGUQOSOEP-UHFFFAOYSA-M
SMILES
C(CCCCCC(NCC(=O)[O-])=O)C
ChEBI Ontology
Outgoing
N
-octanoylglycinate (
CHEBI:142681
)
is a
N
-(fatty acyl)-glycine(1−) (
CHEBI:149742
)
N
-octanoylglycinate (
CHEBI:142681
)
is a
N
-acylglycinate (
CHEBI:57670
)
N
-octanoylglycinate (
CHEBI:142681
)
is conjugate base of
N
-octanoylglycine (
CHEBI:74099
)
Incoming
N
-octanoylglycine (
CHEBI:74099
)
is conjugate acid of
N
-octanoylglycinate (
CHEBI:142681
)
IUPAC Name
(octanoylamino)acetate
Synonyms
Sources
2-octanamidoacetate
ChEBI
N
-capryloylglycinate
ChEBI
N
-octanoylglycine
UniProt
Citation
Type
Source
10079066
PubMed citation
SUBMITTER
Last Modified
02 December 2018