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N-acetyl-L-isoleucine

PropertiesImage
MNX_IDMNXM1368467 Image of MNXM1368467
referencechebi:133735
formulaC8H14NO3
global charge-1
mol weight172.204
InChIKeyJDTWZSUNGHMMJM-FSPLSTOPSA-M
InChIInChI=1S/C8H15NO3/c1-4-5(2)7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/p-1/t5-,7-/m0/s1
SMILESCC[C@H](C)[C@H](NC(C)=O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C8H15NO3/c1-4-5(2)7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t5-,7-/m0/s1 Image of MNXM1368467
SMILES (mnx)[CH3:1][CH2:4][C@H:5]([CH3:2])[C@@H:7]([C:8](=[O:11])[OH:12])[N:9]=[C:6]([CH3:3])[OH:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133735
chebi:133735
JDTWZSUNGHMMJM-FSPLSTOPSA-M 		N-acetyl-L-isoleucine
(2S,3S)-2-acetamido-3-methylpentanoate
Ac-Ile(1-)
N-acetyl-L-isoleucinate
N-acetylisoleucinate

vmhM:acile_L
vmhmetabolite:acile_L
JDTWZSUNGHMMJM-DSEUIKHZSA-M 		Acetyl Isoleucine (Chemspider Id: 9964364)
(2S,3S)-2-acetamido-3-methylpentanoic acid

sabiork.compound:23217
sabiorkM:23217
JDTWZSUNGHMMJM-FSPLSTOPSA-N 		N-Acetyl-L-isoleucine
hmdb:HMDB0061684
JDTWZSUNGHMMJM-FSPLSTOPSA-N 		N-Acetylisoleucine
(2S,3S)-2-acetamido-3-methylpentanoic acid
N-Acetyl-L-isoleucine

CHEBI:21555
chebi:21555
JDTWZSUNGHMMJM-FSPLSTOPSA-N 		N-acetyl-L-isoleucine

hmdb:HMDB61684
vmhM:M_acile_L 		secondary/obsolete/fantasy identifier