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N-oleoyl-L-isoleucinate

http://purl.obolibrary.org/obo/CHEBI_134121

An N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N-oleoyl-L-isoleucine. The major species at pH 7.3.

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Term info

Label

N-oleoyl-L-isoleucinate

Synonyms

(2S,3S)-3-methyl-2-{[(9Z)-octadec-9-enoyl]amino}pentanoate

database cross reference

Subsets

3_STAR

IUPAC NAME

(2S,3S)-3-methyl-2-{[(9Z)-octadec-9-enoyl]amino}pentanoate [ IUPAC ]

charge

-1

formula

C24H44NO3

has obo namespace

chebi_ontology

has related synonym

N-oleoylisoleucinate, N-(9Z-octadecenoyl)-L-isoleucine, N-(9Z-octadecenoyl)isoleucinate, N-(9Z-octadecenoyl)-L-isoleucinate, oleoylisoleucinate, N-[(9Z)-octadecenoyl]isoleucinate, N-[(9Z)-octadecenoyl]-L-isoleucinate

CHEBI:134121

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)/p-1/b13-12-/t21-,23-/m0/s1

inchikey

TYWACVZIFBZIQZ-BSFUXZNJSA-M

mass

394.612

monoisotopicmass

394.33267

smiles

C(\CCCCCCCC(=O)N[C@H](C([O-])=O)[C@H](CC)C)=C\CCCCCCCC

Term relations

Subclass of:

Related from:

is conjugate acid of

N-oleoyl-L-isoleucine