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


and

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





INPUT WORD = C00047246 , 50% or more
[ Metabolite Name : Iberin ]
Number of matched data : 81

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00050239 4-Methylsulfinylbutyl isothiocyanate
Sulforaphane
84.21
C00001379 L-Methionine
Methionine
82.35
C00007667 5-Methylsufinylpentyl nitrile 82.35
C00031763 Entadamide A 78.95
C00007581 2-Thioxo1,3-thiazolidine-4-carboxylic acid 77.78
C00028721 Norhygrine
N-Demethylhygrine
77.78
C00000318 Caprolactam 76.47
C00001242 Allicin 76.47
C00001254 Heptan-2-one
Methyl-n-pentyl ketone
2-Heptanone
76.47
C00001264 1-Octanol
Octan-1-ol
Octanol
n-Octanol
76.47
C00007379 L-Glutamate 1-semialdehyde 76.47
C00018286 Scorodonin 76.47
C00019659 (S)-4-Amino-5-oxo-pentanoic acid
Glutamic acid 1-semialdehyde
76.47
C00029316 (2E)-Octenal
trans-Oct-2-en-1-al
(E)-2-Octenal
76.47
C00029423 Oct-1-en-3-ol
1-Octen-3-ol
76.47
C00030880 Octanal
n-Octanal
76.47
C00035495 3-Octanol 76.47
C00048247 (S)-2-Heptanol 76.47
C00031764 Entadamide C 76.19
C00000772 7-Mercaptoheptanoic acid
7-Thioheptanoic acid
73.68
C00007476 5-(Methylthio)-2-oxo-pentanoic acid 73.68
C00029463 Nonan-2-one
2-Nonanone
73.68
C00033589 7-Octene-1,6-diol 73.68
C00034233 Se-Methylselenomethionine 73.68
C00049076 2-Acetonyl-3,5-dihydroxy-7-methoxy-1,4-naphthoquinone 73.68
C00000309 Raphanusanin 72.73
C00000210 CID is old! 72.22
C00000302 Asparagusic acid syn-S-oxide 72.22
C00000307 Asparagusic acid anti-S-oxide 72.22
C00000334 Cyclohexylcarboxylic acid
Hexahydrobenzoic acid
72.22
C00001387 L-Pipecolic acid
Pipecolic acid
72.22
C00002030 gamma-Coniceine 72.22
C00002031 Coniine
(+)-Coniine
72.22
C00002033 Cucurbitine 72.22
C00002043 Guvacine 72.22
C00007403 5-Oxoproline
Pyroglutamic acid
72.22
C00007610 4-Metyl-5-(beta-hydroxyethyl)thiazole
4-methyl-5-(2hydroxyethyl)thiazole
72.22
C00010859 Isopropylcyclohexane 72.22
C00017553 (-)-(1R,2S)-Cispentacin
(-)-Cispentacin
Antibiotic FR 109615
Cispentacin
FR 109615
cis-(1R,2S)-2-Aminocyclopentane-1-carboxylic acid
72.22
C00034881 N-Methylproline
N-Methyl-L-proline
(-)-N-Methyl-L-proline
72.22
C00036613 6-Deoxy-fagomine
(-)-6-Deoxy-fagomine
72.22
C00037927 trans-4-Aminoproline
(-)-trans-4-Aminoproline
72.22
C00042856 Pipecolamide 72.22
C00046415 Squamolone 72.22
C00047097 CID is old! 72.22
C00001336 Alliin 71.43
C00001389 S-[(E)-Prop-1-enyl]-L-cysteine S-oxide 71.43
C00040074 Propiin 71.43
C00001218 Caproic acid
1-Hexanoic acid
Hexanoic acid
n-Hexanoic acid
70.59
C00001365 L-Homocysteine 70.59
C00001377 L-Leucine
L-Leu
70.59
C00001384 L-Ornithine
L-Orn
Ornithine
70.59
C00001388 L-Proline
L-Pro
70.59
C00001400 Agmatine 70.59
C00001404 N-Carbamoylputrescine 70.59
C00007378 5-Aminolevulinic acid 70.59
C00007474 2-Oxo-4-(methylthio)butanoic acid
4-(Methylthio)-2-oxobutanoic acid
70.59
C00007475 L-Glutamate 5-semialdehyde 70.59
C00007606 L-delta1-Pyrroline-5-carboxylate
Pyrroline-5-carboxylate
70.59
C00016488 Armentomycin
L-Armentomycin
70.59
C00018833 Ro 07-7957
trans-L-2-Amino-4-methoxy-3-butenoic acid
70.59
C00030220 Ethyl 2-methyl butyrate
ethyl 2-methyl butyrate
Ethyl 2-methylbutanoate
70.59
C00032250 Succinic acid methyl ester
Butanedioic acid 1-methyl ester
70.59
C00032371 trans-3-Methylsulfinyl-2-propenol
(+)-trans-3-Methylsulfinyl-2-propenol
70.59
C00033964 Itaconic acid 70.59
C00034761 2E,4Z-Octadienal 70.59
C00034765 Octan-3-one
3-Octanone
70.59
C00034880 Heptanal
n-Heptanal
70.59
C00034882 Nonane
n-Nonane
70.59
C00035500 4-Heptanol 70.59
C00035501 4-Heptanone 70.59
C00035700 n-Heptanol 70.59
C00035797 6-Methyl-1-heptene 70.59
C00035857 Octane
n-Octane
70.59
C00035881 trans-2,4-hexadienal 70.59
C00035928 3,5-Nonadiyne 70.59
C00036279 (-)-Hepta-4,6-diyne-2,3-diol
(-)-4,6-Heptadiyne-2,3-diol
70.59
C00036506 2R-Hydroxymethyl-3S-hydroxypyrrolidine
(+)-2R,3S)-2-(Hydroxymethyl)-3-hydroxypyrrolidine
70.59
C00039855 N-Methyl-2-pyrrolidone 70.59
C00048340 Bruguiesulfurol 70.59
C00048958 Butyl acetate 70.59
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