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


and

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





INPUT WORD = C00000318 , 50% or more
[ Metabolite Name : Caprolactam ]
Number of matched data : 54

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00001218 Caproic acid
1-Hexanoic acid
Hexanoic acid
n-Hexanoic acid
87.50
C00001254 2-Heptanone
Heptan-2-one
Methyl-n-pentyl ketone
87.50
C00034880 Heptanal
n-Heptanal
87.50
C00035500 4-Heptanol 87.50
C00035501 4-Heptanone 87.50
C00035700 n-Heptanol 87.50
C00048247 (S)-2-Heptanol 87.50
C00048958 Butyl acetate 87.50
C00000210 CID is old! 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
C00028721 Norhygrine
N-Demethylhygrine
83.33
C00042856 Pipecolamide 83.33
C00001264 1-Octanol
Octan-1-ol
Octanol
n-Octanol
82.35
C00001404 N-Carbamoylputrescine 82.35
C00018286 Scorodonin 82.35
C00029316 (2E)-Octenal
trans-Oct-2-en-1-al
(E)-2-Octenal
trans-2-Octenal
82.35
C00029423 1-Octen-3-ol
Oct-1-en-3-ol
82.35
C00030220 Ethyl-2-methylbutanoate
Ethyl 2-methyl butyrate
ethyl 2-methyl butyrate
Ethyl 2-methylbutanoate
82.35
C00030880 Octanal
n-Octanal
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
Octan-3-ol
82.35
C00000303 Parasorbic acid 81.25
C00000351 (2E)-2-Hexanal
trans-2-Hexenal
(2E)-Hexenal
81.25
C00000354 (E)-2-Hexenol
trans-2-Hexenol
81.25
C00000355 trans-3-Hexenol
(E)-3-Hexen-1-ol
(E)-3-Hexenol
trans-3-Hexen-1-ol
81.25
C00000357 Hexanal
n-Hexanal
Hexenal
81.25
C00000358 Hexan-1-ol
1-Hexanol
Hexanol
n-Hexanol
81.25
C00001388 L-Proline
L-Pro
81.25
C00001413 1-Hexanamine
Hexylamine
81.25
C00014894 2,5-Diketopiperazine
2,5-Dioxopiperazine
Cyclodiglycine
Diglycolyl diamide
Glycylglycine lactam
81.25
C00034755 trans-2-Heptenal
(E)-2-Heptenal
trans-2-Heptanal
81.25
C00035479 2-Hexen-1-ol 81.25
C00035480 (2E)-Hex-2-enal
2-Hexenal
(E)-Hex-2-enal
81.25
C00035797 6-Methyl-1-heptene 81.25
C00035857 Octane
n-Octane
81.25
C00036320 (+)-Tulipalin B 81.25
C00036506 2R-Hydroxymethyl-3S-hydroxypyrrolidine
(+)-2R,3S)-2-(Hydroxymethyl)-3-hydroxypyrrolidine
81.25
C00036546 3-Hexen-1-ol 81.25
C00038061 (-)-Tulipalin B 81.25
C00039855 N-Methyl-2-pyrrolidone 81.25
C00044142 Cyclohexylamine 81.25
C00048948 3-Hexenal 81.25
C00001378 L-Lysine
L-Lys
78.95
C00000334 Cyclohexylcarboxylic acid
Hexahydrobenzoic acid
77.78
C00001381 alpha-(Methylenecyclopropyl)glycine 77.78
C00002030 gamma-Coniceine 77.78
C00002031 Coniine
(+)-Coniine
77.78
C00002043 Guvacine 77.78
C00034881 N-Methylproline
N-Methyl-L-proline
(-)-N-Methyl-L-proline
77.78
C00036613 6-Deoxy-fagomine
(-)-6-Deoxy-fagomine
77.78
C00042095 2-Cyclohexylethylamine 77.78
Page Top