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


and

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





INPUT WORD = C00048949 , 50% or more
[ Metabolite Name : 3-Methyl-butanal , Isovaleraldehyde , 3-Methylbutanal , 3-methylbutanal ]
Number of matched data : 51

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00035905 2-Methyl-3-buten-2-ol 90.91
C00001189 3-Methylbutanoic acid
3-Methylbutyric acid
Isovaleric acid
84.62
C00033067 Isovalerate 84.62
C00035792 3-Methyl-1-pentanol
3-Methylbutanol
84.62
C00001180 Butanoic acid
Butyric acid
81.82
C00001297 Triacetylene 81.82
C00001308 Ethyl acetate 81.82
C00007666 3-Hydroxybutyl nitrile 81.82
C00029462 2-Methylpropanoic acid
Isobutyric acid
81.82
C00035784 1-Pentanol
n-Pentanol
81.82
C00035814 1-Butanol
n-Butanol
Butanol
81.82
C00043612 Isobutyramide 81.82
C00046784 Isoprene 81.82
C00049006 Hexane
n-Hexane
81.82
C00040580 Tulipalin A 78.57
C00000351 (2E)-2-Hexanal
trans-2-Hexenal
(2E)-Hexenal
76.92
C00000354 (E)-2-Hexenol
trans-2-Hexenol
76.92
C00000355 trans-3-Hexenol
(E)-3-Hexen-1-ol
(E)-3-Hexenol
trans-3-Hexen-1-ol
76.92
C00000357 Hexanal
n-Hexanal
Hexenal
76.92
C00000358 Hexan-1-ol
1-Hexanol
Hexanol
n-Hexanol
76.92
C00001208 pentanoic acid
Valeric acid
76.92
C00007298 Choline 76.92
C00010280 3-Methyl-2-butenoic acid 76.92
C00035479 2-Hexen-1-ol 76.92
C00035480 (2E)-Hex-2-enal
2-Hexenal
(E)-Hex-2-enal
76.92
C00035484 2-methylhexane 76.92
C00035729 Propyl acetate 76.92
C00036428 1-Deoxythreitol 76.92
C00036488 2-Hexanol 76.92
C00036546 3-Hexen-1-ol 76.92
C00048948 3-Hexenal 76.92
C00048963 cis-2-Hexenol
(Z)-2-hexen-1-ol
cis-2-Hexen-1-ol
76.92
C00028706 N-Methylpyrrolidine 75.00
C00034612 N-Methylpyrrolinium
N-Methyl-delta1-pyrrolinium cation
75.00
C00001398 L-Valine
L-Val
73.33
C00007623 Ketovaline
2-Ketoisovalerate
alpha-Ketoisovalerate
3-Methyl-2-oxobutanoic acid
73.33
C00001163 Glycerol 72.73
C00001191 L-Lactic acid
(S)-(+)-Lactic acid
72.73
C00001200 Pyruvic acid 72.73
C00001266 Propanethial S-oxide 72.73
C00001332 L-Alanine
L-Ala
72.73
C00001333 beta-Alanine 72.73
C00007413 Glyceraldehyde 72.73
C00019549 D-Lactic acid
(R)-(-)-Lactic acid
72.73
C00019654 D-Alanine
D-2-Aminopropionic acid
D-Ala
72.73
C00019656 4-Aminobutanal
gamma-Aminobutyraldehyde
72.73
C00035785 1-Penten-3-one
pent-1-en-3-one
72.73
C00018800 Azirinomycin 71.43
C00029343 (R)-3,4-Dihydroxybutanoic acid gamma-lactone
(+)-(R)-3-Hydroxy-.gamma.-butyrolactone
71.43
C00035853 Cyclohexylmethane
Methylcyclohexane
71.43
C00039855 N-Methyl-2-pyrrolidone 71.43
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