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


and

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




INPUT WORD = C00001254 , 50% or more
[ Metabolite Name : 2-Heptanone , Heptan-2-one , Methyl-n-pentyl ketone ]
Number of matched data : 55

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00048247 (S)-2-Heptanol 100.00
C00001218 Caproic acid
1-Hexanoic acid
Hexanoic acid
n-Hexanoic acid		 93.33
C00034880 Heptanal
n-Heptanal		 93.33
C00035500 4-Heptanol 93.33
C00035501 4-Heptanone 93.33
C00035700 n-Heptanol 93.33
C00035797 6-Methyl-1-heptene 93.33
C00035881 trans-2,4-hexadienal 93.33
C00048958 Butyl acetate 93.33
C00029423 1-Octen-3-ol
Oct-1-en-3-ol		 88.24
C00034765 3-Octanone
Octan-3-one		 88.24
C00035495 3-Octanol
Octan-3-ol		 88.24
C00000318 Caprolactam 87.50
C00000351 (2E)-2-Hexanal
trans-2-Hexenal
(2E)-Hexenal		 86.67
C00000354 (E)-2-Hexenol
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
C00034755 trans-2-Heptenal
(E)-2-Heptenal
trans-2-Heptanal		 86.67
C00035479 2-Hexen-1-ol 86.67
C00035480 (2E)-Hex-2-enal
2-Hexenal
(E)-Hex-2-enal		 86.67
C00035853 Cyclohexylmethane
Methylcyclohexane		 86.67
C00035857 Octane
n-Octane		 86.67
C00036488 2-Hexanol 86.67
C00036546 3-Hexen-1-ol 86.67
C00048948 3-Hexenal 86.67
C00028721 Norhygrine
N-Demethylhygrine		 83.33
C00000395 1,5Z-Octadien-3R-ol 82.35
C00000397 1,5Z-Octadien-3S-ol 82.35
C00001264 1-Octanol
Octan-1-ol
Octanol
n-Octanol		 82.35
C00007667 5-Methylsufinylpentyl nitrile 82.35
C00011400 6-Methyl-5-hepten-2-one 82.35
C00029580 6-Methyl-5-hepten-2-ol
Sulcatol		 82.35
C00034775 6-Methyl-5-hepten-2-one
6-Methylhept-5-en-2-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
C00036279 (-)-Hepta-4,6-diyne-2,3-diol
(-)-4,6-Heptadiyne-2,3-diol		 82.35
C00000303 Parasorbic acid 81.25
C00001388 L-Proline
L-Pro		 81.25
C00000352 (E)-3-Hexenal 80.00
C00000353 cis-3-Hexenal
(Z)-3-Hexenal
(Z)-Hex-3-enal		 80.00
C00000356 cis-3-Hexen-1-ol
(Z)-3-hexen-1-ol
(3Z)-3-Hexen-1-ol
cis-3-Hexenol
(Z)-3-Hexenol		 80.00
C00001208 pentanoic acid
Valeric acid		 80.00
C00001244 Diallyl sulfide 80.00
C00001398 L-Valine
L-Val		 80.00
C00001413 1-Hexanamine
Hexylamine		 80.00
C00007623 Ketovaline
2-Ketoisovalerate
alpha-Ketoisovalerate
3-Methyl-2-oxobutanoic acid		 80.00
C00035493 3-Methyl-2-pentanol 80.00
C00035729 Propyl acetate 80.00
C00035779 1,5-Heptadien-3-yne 80.00
C00035792 3-Methyl-1-pentanol
3-Methylbutanol		 80.00
C00039855 N-Methyl-2-pyrrolidone 80.00
C00040580 Tulipalin A 80.00
C00044142 Cyclohexylamine 80.00
C00048963 cis-2-Hexenol
(Z)-2-hexen-1-ol
cis-2-Hexen-1-ol		 80.00
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