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


and

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





INPUT WORD = C00035116 , 50% or more
[ Metabolite Name : 3-Methyl butyl acetate , Isoamyl acetate , 3-Methylbutyl acetate ]
Number of matched data : 58

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00011400 6-Methyl-5-hepten-2-one 88.24
C00019677 4-Methyl-2-oxopentanoic acid
2-Oxoisocaproate
88.24
C00029580 6-Methyl-5-hepten-2-ol
Sulcatol
88.24
C00030220 Ethyl-2-methylbutanoate
Ethyl 2-methyl butyrate
ethyl 2-methyl butyrate
Ethyl 2-methylbutanoate
88.24
C00034775 6-Methyl-5-hepten-2-one
6-Methylhept-5-en-2-one
88.24
C00035483 2-Methyl butyl acetate
2-Methylbutyl acetate
88.24
C00036279 (-)-Hepta-4,6-diyne-2,3-diol
(-)-4,6-Heptadiyne-2,3-diol
88.24
C00048958 Butyl acetate 88.24
C00007420 alpha-Ketopantoate 84.21
C00035546 Butyl butyrate 84.21
C00035612 Ethyl hexanoate
Ethyl caproate
84.21
C00035766 (E)-2-Hexenyl acetate
trans-2-Hexenyl acetate
84.21
C00042089 2-Amino-5-chloro-5-hexenoic acid 84.21
C00048964 cis-3-Hexenyl acetate
(Z)-3-Hexenyl acetate
84.21
C00000334 Cyclohexylcarboxylic acid
Hexahydrobenzoic acid
83.33
C00000336 1-Cyclohexenylcarboxylic acid 83.33
C00041442 cis-2-Hydroxymethyl-3-methylcyclopentanone 83.33
C00048033 Osmundalactone
(-)-Osmundalactone
83.33
C00000318 Caprolactam 82.35
C00001184 Glutaric acid 82.35
C00001218 Caproic acid
1-Hexanoic acid
Hexanoic acid
n-Hexanoic acid
82.35
C00001254 2-Heptanone
Heptan-2-one
Methyl-n-pentyl ketone
82.35
C00001310 Ethyl 2-methylbut-2-enoate
Ethyl tiglate
82.35
C00001334 beta-Alaninebetaine 82.35
C00001374 L-isoleucine 82.35
C00001377 L-Leucine
L-Leu
82.35
C00016488 Armentomycin
L-Armentomycin
82.35
C00018307 gamma-Chloronorvaline
Antibiotic AL 719
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
C00033964 Itaconic acid 82.35
C00034765 3-Octanone
Octan-3-one
82.35
C00035495 3-Octanol
Octan-3-ol
82.35
C00035797 6-Methyl-1-heptene 82.35
C00048247 (S)-2-Heptanol 82.35
C00001372 L-Hypoglycin 80.00
C00011008 4,4-Dimethyl-2-cyclohepten-1-one 80.00
C00015997 (R)-4-Ethenyltetrahydro-4-hydroxy-2H-pyran-2-one
(-)-Harzialactone B
Harzialactone B
80.00
C00027723 2-Amino-3-cyclopropylbutanoic acid
(-)-2-Amino-3-cyclopropylbutanoic acid
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
C00000910 Isopentenyl phosphate 78.95
C00001195 Mevalonic acid
Mevalonate
78.95
C00001231 Octanoic acid
Caprylic acid
n-Octanoic acid
78.95
C00007459 O-Acetyl-L-serine
O-Acetylserine
78.95
C00007477 ketopantoic acid 78.95
C00007622 L-Pantoate 78.95
C00010304 (E)-(R)-(-)-2,6-Dimethyl-1,4,7-octatriene 78.95
C00029463 2-Nonanone
Nonan-2-one
78.95
C00033589 7-Octene-1,6-diol 78.95
C00034233 Se-Methylselenomethionine 78.95
C00035117 2-Methylpropyl 2-methylpropanoate
Isobutyl isobutyrate
isobutyl isobutanoate
78.95
C00035701 1-Hexyl acetate
n-Hexyl acetate
Hexyl acetate
78.95
C00043715 Methyl 5-hydroxy-4-oxopentanoate 78.95
C00048315 alpha-Myrcene 78.95
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