CHEBI:136711 - N-oleoyl-L-isoleucine

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ChEBI Name N-oleoyl-L-isoleucine
ChEBI ID CHEBI:136711
ChEBI ASCII Name N-oleoyl-L-isoleucine
Definition An L-isoleucine derivative resulting from the formal condensation of the carboxy group of oleic acid with the amino group of L-isoleucine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H45NO3
Net Charge 0
Average Mass 395.620
Monoisotopic Mass 395.33994
InChI InChI=1S/C24H45NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(26)25-23(24(27)28)21(3)5-2/h12-13,21,23H,4-11,14-20H2,1-3H3,(H,25,26)(H,27,28)/b13-12-/t21-,23-/m0/s1
InChIKey TYWACVZIFBZIQZ-BSFUXZNJSA-N
SMILES C(\CCCCCCCC(=O)N[C@H](C(O)=O)[C@H](CC)C)=C\CCCCCCCC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-oleoyl-L-isoleucine (CHEBI:136711) has functional parent oleic acid (CHEBI:16196)
N-oleoyl-L-isoleucine (CHEBI:136711) is a N-(fatty acyl)-L-α-amino acid (CHEBI:137550)
N-oleoyl-L-isoleucine (CHEBI:136711) is a L-isoleucine derivative (CHEBI:84111)
N-oleoyl-L-isoleucine (CHEBI:136711) is conjugate acid of N-oleoyl-L-isoleucinate (CHEBI:134121)
Incoming N-oleoyl-L-isoleucinate (CHEBI:134121) is conjugate base of N-oleoyl-L-isoleucine (CHEBI:136711)
IUPAC Name
N-[(9Z)-octadec-9-enoyl]-L-isoleucine
Synonyms Sources
(2S,3S)-3-methyl-2-{[(9Z)-octadec-9-enoyl]amino}pentanoic acid IUPAC
N-(9Z-octadecenoyl)-isoleucine LIPID MAPS
N-(9Z-octadecenoyl)-L-isoleucine ChEBI
N-(9Z-octadecenoyl)isoleucine ChEBI
N-[(9Z)-octadecenoyl]-L-isoleucine ChEBI
N-[(9Z)-octadecenoyl]isoleucine ChEBI
N-oleoyl isoleucine LIPID MAPS
N-oleoylisoleucine ChEBI
oleoylisoleucine ChEBI
Manual Xref Database
LMFA08020113 LIPID MAPS
View more database links
Registry Number Type Source
20745805 Reaxys Registry Number Reaxys
Last Modified
27 June 2017