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


and

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




INPUT WORD = C00030220 , 50% or more
[ Metabolite Name : Ethyl-2-methylbutanoate , Ethyl 2-methyl butyrate , ethyl 2-methyl butyrate , Ethyl 2-methylbutanoate ]
Number of matched data : 61

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00001310 Ethyl 2-methylbut-2-enoate
Ethyl tiglate		 94.12
C00035483 2-Methyl butyl acetate
2-Methylbutyl acetate		 94.12
C00000334 Cyclohexylcarboxylic acid
Hexahydrobenzoic acid		 88.89
C00001374 L-isoleucine 88.24
C00018286 Scorodonin 88.24
C00029316 (2E)-Octenal
trans-Oct-2-en-1-al
(E)-2-Octenal
trans-2-Octenal		 88.24
C00030880 Octanal
n-Octanal		 88.24
C00034765 3-Octanone
Octan-3-one		 88.24
C00035116 3-Methyl butyl acetate
Isoamyl acetate
3-Methylbutyl acetate		 88.24
C00038105 (S)-cis-Amino-5-chloro-4-pentenoic acid
(Z)-2-Amino-5-chloro-4-pentenoic acid		 88.24
C00048943 3,4-Dimethyl heptane 88.24
C00007414 2-Ethylhexanoic acid 84.21
C00035612 Ethyl hexanoate
Ethyl caproate		 84.21
C00000210 CID is old! 83.33
C00000336 1-Cyclohexenylcarboxylic acid 83.33
C00001381 alpha-(Methylenecyclopropyl)glycine 83.33
C00001387 L-Pipecolic acid
Pipecolic acid		 83.33
C00018328 Antibiotic PA 4046I
L-2-(1-Methylcyclopropyl)glycine		 83.33
C00034881 N-Methylproline
N-Methyl-L-proline
(-)-N-Methyl-L-proline		 83.33
C00042802 Ophiocerin A
(-)-Ophiocerin A		 83.33
C00042803 Ophiocerin B
(-)-Ophiocerin B		 83.33
C00042804 Ophiocerin C
(+)-Ophiocerin C		 83.33
C00047172 Ampelomin A
(+)-Ampelomin A		 83.33
C00000303 Parasorbic acid 82.35
C00000318 Caprolactam 82.35
C00001264 1-Octanol
Octan-1-ol
Octanol
n-Octanol		 82.35
C00001379 L-Methionine
Methionine		 82.35
C00001384 L-Ornithine
L-Orn
Ornithine		 82.35
C00007474 2-Oxo-4-(methylthio)butanoic acid
4-(Methylthio)-2-oxobutanoic acid		 82.35
C00007475 L-Glutamate 5-semialdehyde 82.35
C00018095 1-Deoxy-D-threo-pentulose
1-Deoxy-D-xylulose
D-1-Deoxyxylulose		 82.35
C00018833 Ro 07-7957
trans-L-2-Amino-4-methoxy-3-butenoic acid		 82.35
C00019659 (S)-4-Amino-5-oxo-pentanoic acid
Glutamic acid 1-semialdehyde		 82.35
C00029423 1-Octen-3-ol
Oct-1-en-3-ol		 82.35
C00035495 3-Octanol
Octan-3-ol		 82.35
C00035500 4-Heptanol 82.35
C00035501 4-Heptanone 82.35
C00036279 (-)-Hepta-4,6-diyne-2,3-diol
(-)-4,6-Heptadiyne-2,3-diol		 82.35
C00036320 (+)-Tulipalin B 82.35
C00036427 1-Deoxy-D-ribitol 82.35
C00038061 (-)-Tulipalin B 82.35
C00048958 Butyl acetate 82.35
C00015997 (R)-4-Ethenyltetrahydro-4-hydroxy-2H-pyran-2-one
(-)-Harzialactone B
Harzialactone B		 80.00
C00047174 Ampelomin C
(-)-Ampelomin C		 80.00
C00047175 Ampelomin D
(-)-Ampelomin D		 80.00
C00047176 Ampelomin E
(-)-Ampelomin E		 80.00
C00047177 Ampelomin F
(+)-Ampelomin F		 80.00
C00000772 7-Mercaptoheptanoic acid
7-Thioheptanoic acid		 78.95
C00001231 Octanoic acid
Caprylic acid
n-Octanoic acid		 78.95
C00001378 L-Lysine
L-Lys		 78.95
C00007420 alpha-Ketopantoate 78.95
C00029331 (2E)-2-Nonenal
(E)-Non-2-enal
(E)-2-Nonenal
(2E)-Non-2-enal
trans-2-Nonenal
trans-2-Nonen-1-al		 78.95
C00033589 7-Octene-1,6-diol 78.95
C00035117 2-Methylpropyl 2-methylpropanoate
Isobutyl isobutyrate
isobutyl isobutanoate		 78.95
C00035503 4-Nonanol 78.95
C00035504 4-Nonanone 78.95
C00035546 Butyl butyrate 78.95
C00035701 1-Hexyl acetate
n-Hexyl acetate
Hexyl acetate		 78.95
C00035766 (E)-2-Hexenyl acetate
trans-2-Hexenyl acetate		 78.95
C00042089 2-Amino-5-chloro-5-hexenoic acid 78.95
C00048964 cis-3-Hexenyl acetate
(Z)-3-Hexenyl acetate		 78.95
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