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


and

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




INPUT WORD = C00001231 , 50% or more
[ Metabolite Name : Octanoic acid , Caprylic acid , n-Octanoic acid ]
Number of matched data : 59

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00000772 7-Mercaptoheptanoic acid
7-Thioheptanoic acid		 94.74
C00007414 2-Ethylhexanoic acid 94.74
C00029463 2-Nonanone
Nonan-2-one		 94.74
C00035546 Butyl butyrate 94.74
C00035612 Ethyl hexanoate
Ethyl caproate		 94.74
C00035701 1-Hexyl acetate
n-Hexyl acetate
Hexyl acetate		 94.74
C00035766 (E)-2-Hexenyl acetate
trans-2-Hexenyl acetate		 94.74
C00030829 Nonanoic acid
Pelargonic acid
n-Nonanoic acid		 90.48
C00000334 Cyclohexylcarboxylic acid
Hexahydrobenzoic acid		 89.47
C00001264 1-Octanol
Octan-1-ol
Octanol
n-Octanol		 89.47
C00018286 Scorodonin 89.47
C00029316 (2E)-Octenal
trans-Oct-2-en-1-al
(E)-2-Octenal
trans-2-Octenal		 89.47
C00029331 (2E)-2-Nonenal
(E)-Non-2-enal
(E)-2-Nonenal
(2E)-Non-2-enal
trans-2-Nonenal
trans-2-Nonen-1-al		 89.47
C00030828 Nonadienal
Nonanal
n-Nonanal		 89.47
C00030830 Nonanol
n-Nonanol
1-Nonanol		 89.47
C00030880 Octanal
n-Octanal		 89.47
C00033589 7-Octene-1,6-diol 89.47
C00035503 4-Nonanol 89.47
C00035504 4-Nonanone 89.47
C00048964 cis-3-Hexenyl acetate
(Z)-3-Hexenyl acetate		 89.47
C00001318 gamma-Nonalactone
gamma-Nonanolactone
gamma-muurolol		 86.36
C00016223 Musacin E
Musacine E		 86.36
C00048291 5-(S)-(1-1(S)-hydroxybut-2-enyl))-dihydrofuran-2-one
(+)-5-(S)-(1-1(S)-hydroxybut-2-enyl))-dihydrofuran-2-one		 86.36
C00001199 Pimelic acid 85.71
C00007594 Dihomomethionine 85.71
C00007648 2-Oxo-6-methylthiohexanoic acid
6-Methylthio-2-oxohexanoic acid		 85.71
C00021684 Agrocybin 85.71
C00029453 2-Decanol
2-Hydroxydecane		 85.71
C00034760 2-Decanone 85.71
C00002019 Arecaidine 85.00
C00002047 (-)-Hygroline
Hygroline		 85.00
C00002062 Pelletierine
(-)-Pelletierine		 85.00
C00002064 Pinidine 85.00
C00018814 Desdanine
CAM
Cyclamidomycin
NSC 121234
Pyracrimycin A		 85.00
C00027723 2-Amino-3-cyclopropylbutanoic acid
(-)-2-Amino-3-cyclopropylbutanoic acid		 85.00
C00046982 (+)-Allosedridine 85.00
C00000210 CID is old! 84.21
C00000336 1-Cyclohexenylcarboxylic acid 84.21
C00001317 (E,Z)-2,6-Nonadienal
Nona-2,6-dienal
(2E,6Z)-Nona-2,6-dienal		 84.21
C00001387 L-Pipecolic acid
Pipecolic acid		 84.21
C00002030 gamma-Coniceine 84.21
C00002031 Coniine
(+)-Coniine		 84.21
C00002043 Guvacine 84.21
C00007420 alpha-Ketopantoate 84.21
C00010304 (E)-(R)-(-)-2,6-Dimethyl-1,4,7-octatriene 84.21
C00017553 (-)-(1R,2S)-Cispentacin
(-)-Cispentacin
Antibiotic FR 109615
Cispentacin
FR 109615
cis-(1R,2S)-2-Aminocyclopentane-1-carboxylic acid		 84.21
C00029423 1-Octen-3-ol
Oct-1-en-3-ol		 84.21
C00034756 (E,E)-2,4-Nonadienal 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
C00034882 Nonane
n-Nonane		 84.21
C00035117 2-Methylpropyl 2-methylpropanoate
Isobutyl isobutyrate
isobutyl isobutanoate		 84.21
C00035495 3-Octanol
Octan-3-ol		 84.21
C00035928 3,5-Nonadiyne 84.21
C00042089 2-Amino-5-chloro-5-hexenoic acid 84.21
C00042095 2-Cyclohexylethylamine 84.21
C00048315 alpha-Myrcene 84.21
C00049076 2-Acetonyl-3,5-dihydroxy-7-methoxy-1,4-naphthoquinone 84.21
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