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


and

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





INPUT WORD = C00001218 , 50% or more
[ Metabolite Name : Caproic acid , 1-Hexanoic acid , Hexanoic acid , n-Hexanoic acid ]
Number of matched data : 51

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00001254 2-Heptanone
Heptan-2-one
Methyl-n-pentyl ketone
93.33
C00048247 (S)-2-Heptanol 93.33
C00048958 Butyl acetate 93.33
C00000303 Parasorbic acid 87.50
C00000318 Caprolactam 87.50
C00001388 L-Proline
L-Pro
87.50
C00000351 (2E)-2-Hexanal
trans-2-Hexenal
(2E)-Hexenal
86.67
C00000354 trans-2-Hexenol 86.67
C00000355 trans-3-Hexenol
(E)-3-Hexen-1-ol
(E)-3-Hexenol
trans-3-Hexen-1-ol
86.67
C00000357 Hexanal
n-Hexanal
Hexenal
86.67
C00000358 Hexan-1-ol
1-Hexanol
Hexanol
n-Hexanol
86.67
C00001208 pentanoic acid
Valeric acid
86.67
C00001398 L-Valine
L-Val
86.67
C00007623 Ketovaline
2-Ketoisovalerate
alpha-Ketoisovalerate
3-Methyl-2-oxobutanoic acid
86.67
C00034880 Heptanal
n-Heptanal
86.67
C00035479 2-Hexen-1-ol 86.67
C00035480 (2E)-Hex-2-enal
2-Hexenal
(E)-Hex-2-enal
86.67
C00035500 4-Heptanol 86.67
C00035501 4-Heptanone 86.67
C00035700 n-Heptanol 86.67
C00035797 6-Methyl-1-heptene 86.67
C00035881 trans-2,4-hexadienal 86.67
C00036546 3-Hexen-1-ol 86.67
C00044037 (2R,3R)-Nilic acid 86.67
C00048948 3-Hexenal 86.67
C00000210 CID is old! 83.33
C00000334 Cyclohexylcarboxylic acid
Hexahydrobenzoic acid
83.33
C00000336 1-Cyclohexenylcarboxylic acid 83.33
C00001381 alpha-(Methylenecyclopropyl)glycine 83.33
C00001387 L-Pipecolic acid
Pipecolic acid
83.33
C00017553 (-)-(1R,2S)-Cispentacin
(-)-Cispentacin
Antibiotic FR 109615
Cispentacin
FR 109615
cis-(1R,2S)-2-Aminocyclopentane-1-carboxylic acid
83.33
C00001184 Glutaric acid 82.35
C00001374 L-isoleucine 82.35
C00001377 L-Leucine
L-Leu
82.35
C00001379 L-Methionine
Methionine
82.35
C00001384 L-Ornithine
L-Orn
Ornithine
82.35
C00007378 5-Aminolevulinic acid 82.35
C00007379 L-Glutamate 1-semialdehyde 82.35
C00007474 2-Oxo-4-(methylthio)butanoic acid
4-(Methylthio)-2-oxobutanoic acid
82.35
C00007475 L-Glutamate 5-semialdehyde 82.35
C00016488 Armentomycin
L-Armentomycin
82.35
C00018307 gamma-Chloronorvaline
Antibiotic AL 719
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
C00032250 Succinic acid methyl ester
Butanedioic acid 1-methyl ester
82.35
C00034765 3-Octanone
Octan-3-one
82.35
C00035116 3-Methyl butyl acetate
Isoamyl acetate
3-Methylbutyl acetate
82.35
C00035483 2-Methyl butyl acetate
2-Methylbutyl acetate
82.35
C00035495 3-Octanol 82.35
C00038105 (S)-cis-Amino-5-chloro-4-pentenoic acid
(Z)-2-Amino-5-chloro-4-pentenoic acid
82.35
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