"Twins" retrives similar metabolites in chemical structure.
last update : 2020.01.06
KNApSAcK CID : ex.) C00000001


and

Similarity (%) : ex.) 98
% or more





INPUT WORD = C00007414 , 50% or more
[ Metabolite Name : 2-Ethylhexanoic acid ]
Number of matched data : 70

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00001231 Octanoic acid
Caprylic acid
n-Octanoic acid
94.74
C00035546 Butyl butyrate 94.74
C00035612 Ethyl hexanoate
Ethyl caproate
94.74
C00000334 Cyclohexylcarboxylic acid
Hexahydrobenzoic acid
89.47
C00000772 7-Mercaptoheptanoic acid
7-Thioheptanoic acid
89.47
C00029463 2-Nonanone
Nonan-2-one
89.47
C00035117 2-Methylpropyl 2-methylpropanoate
Isobutyl isobutyrate
isobutyl isobutanoate
89.47
C00035503 4-Nonanol 89.47
C00035504 4-Nonanone 89.47
C00035701 1-Hexyl acetate
n-Hexyl acetate
Hexyl acetate
89.47
C00035766 (E)-2-Hexenyl acetate
trans-2-Hexenyl acetate
89.47
C00011055 (2-exo,3-endo)-2,3-dimethyl-Bicyclo[2.2.1]heptan-2-ol 85.71
C00011056 5,6-Dimethyl-5-norbornen-exo-2-ol 85.71
C00030829 Nonanoic acid
Pelargonic acid
n-Nonanoic acid
85.71
C00001372 L-Hypoglycin 85.00
C00002074 Stachydrine 85.00
C00018017 Dihydrosarkomycin
NSC 409561
85.00
C00018655 (-)-Sarcomycin
Sarkomycin A
85.00
C00027723 2-Amino-3-cyclopropylbutanoic acid
(-)-2-Amino-3-cyclopropylbutanoic acid
85.00
C00037000 trans-5-Hydroxypipecolic acid 85.00
C00037104 cis-5-Hydroxypipecolic acid 85.00
C00000210 CID is old! 84.21
C00000336 1-Cyclohexenylcarboxylic acid 84.21
C00001264 1-Octanol
Octan-1-ol
Octanol
n-Octanol
84.21
C00001381 alpha-(Methylenecyclopropyl)glycine 84.21
C00001387 L-Pipecolic acid
Pipecolic acid
84.21
C00007420 alpha-Ketopantoate 84.21
C00007476 5-(Methylthio)-2-oxo-pentanoic acid 84.21
C00010352 2,5-Dimethyl-3-vinyl-1,4-hexadiene 84.21
C00010807 2-Isopropylcyclopentanone 84.21
C00017553 (-)-(1R,2S)-Cispentacin
(-)-Cispentacin
Antibiotic FR 109615
Cispentacin
FR 109615
cis-(1R,2S)-2-Aminocyclopentane-1-carboxylic acid
84.21
C00018286 Scorodonin 84.21
C00029316 (2E)-Octenal
trans-Oct-2-en-1-al
(E)-2-Octenal
trans-2-Octenal
84.21
C00029331 (2E)-2-Nonenal
(E)-Non-2-enal
(E)-2-Nonenal
(2E)-Non-2-enal
trans-2-Nonenal
trans-2-Nonen-1-al
84.21
C00029423 1-Octen-3-ol
Oct-1-en-3-ol
84.21
C00030220 Ethyl-2-methylbutanoate
Ethyl 2-methyl butyrate
ethyl 2-methyl butyrate
Ethyl 2-methylbutanoate
84.21
C00030828 Nonadienal
Nonanal
n-Nonanal
84.21
C00030830 Nonanol
n-Nonanol
1-Nonanol
84.21
C00030880 Octanal
n-Octanal
84.21
C00033589 7-Octene-1,6-diol 84.21
C00034676 Santolina triene 84.21
C00034761 2E,4Z-Octadienal 84.21
C00034765 3-Octanone
Octan-3-one
84.21
C00034881 N-Methylproline
N-Methyl-L-proline
(-)-N-Methyl-L-proline
84.21
C00037771 S-allyl-L-cysteine
S-Allylcysteine
84.21
C00037789 Santene 84.21
C00042089 2-Amino-5-chloro-5-hexenoic acid 84.21
C00048964 cis-3-Hexenyl acetate
(Z)-3-Hexenyl acetate
84.21
C00000810 (-)-Menthol 81.82
C00000811 (-)-Menthone 81.82
C00000815 (-)-trans-Isopiperitenol 81.82
C00000820 (+)-cis-Isopulegone
(2R-cis)-5-methyl-2-(1-methylethenyl)-cyclohexanone
81.82
C00000822 (+)-Isomenthol 81.82
C00000824 (+)-Neoisomenthol 81.82
C00000825 (+)-Neomenthol 81.82
C00001318 gamma-Nonalactone
gamma-Nonanolactone
gamma-muurolol
81.82
C00001367 Homostachydrine 81.82
C00010881 trans-p-Mentha-1(7),8-dien-3-ol 81.82
C00010899 p-Menthan-8-ol 81.82
C00010902 (+)-Isomenthone 81.82
C00010903 (+)-Menthone 81.82
C00010904 (-)-Isomenthone 81.82
C00010938 Isopulegol
(-)-Isopulegol
81.82
C00010939 (+)-Neoisopulegol 81.82
C00010948 (+)-Isopulegone
(2R-trans)-5-methyl-2-(1-methylethenyl)-cyclohexanone
81.82
C00016223 Musacin E
Musacine E
81.82
C00035118 Isomenthol 81.82
C00035341 Menthone 81.82
C00037333 Isomenthone 81.82
C00048291 5-(S)-(1-1(S)-hydroxybut-2-enyl))-dihydrofuran-2-one
(+)-5-(S)-(1-1(S)-hydroxybut-2-enyl))-dihydrofuran-2-one
81.82
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