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


and

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





INPUT WORD = C00049006 , 50% or more
[ Metabolite Name : n-Hexane ]
Number of matched data : 51

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00001297 Triacetylene 100.00
C00035784 1-Pentanol
n-Pentanol
90.91
C00000351 (2E)-2-Hexanal
trans-2-Hexenal
(2E)-Hexenal
84.62
C00000354 trans-2-Hexenol 84.62
C00000355 trans-3-Hexenol
(E)-3-Hexen-1-ol
(E)-3-Hexenol
trans-3-Hexen-1-ol
84.62
C00000357 Hexanal
n-Hexanal
Hexenal
84.62
C00000358 Hexan-1-ol
1-Hexanol
Hexanol
n-Hexanol
84.62
C00001413 Hexylamine 84.62
C00035479 2-Hexen-1-ol 84.62
C00035480 (2E)-Hex-2-enal
2-Hexenal
(E)-Hex-2-enal
84.62
C00035484 2-methylhexane 84.62
C00036488 2-Hexanol 84.62
C00036546 3-Hexen-1-ol 84.62
C00048948 3-Hexenal 84.62
C00028706 N-Methylpyrrolidine 83.33
C00034612 N-Methylpyrrolinium
N-Methyl-delta1-pyrrolinium cation
83.33
C00001257 Methyl allyl disulfide 81.82
C00001428 1,4-Butanediamine
Putrescine
81.82
C00019656 4-Aminobutanal
gamma-Aminobutyraldehyde
81.82
C00035785 1-Penten-3-one
pent-1-en-3-one
81.82
C00048949 3-Methyl-butanal
Isovaleraldehyde
3-Methylbutanal
3-methylbutanal
81.82
C00035853 Cyclohexylmethane
Methylcyclohexane
78.57
C00044142 Cyclohexylamine 78.57
C00000352 (E)-3-Hexenal 76.92
C00000353 cis-3-Hexenal
(Z)-3-Hexenal
76.92
C00000356 cis-3-Hexen-1-ol
(Z)-3-hexen-1-ol
(3Z)-3-Hexen-1-ol
cis-3-Hexenol
76.92
C00001208 pentanoic acid
Valeric acid
76.92
C00001244 Diallyl sulfide 76.92
C00001403 Cadaverine 76.92
C00034611 N-Methylputrescine 76.92
C00035493 3-Methyl-2-pentanol 76.92
C00035617 Ethyl propanoate
Ethyl propionate
76.92
C00035729 Propyl acetate 76.92
C00035779 1,5-Heptadien-3-yne 76.92
C00035792 3-Methyl-1-pentanol
3-Methylbutanol
76.92
C00048963 cis-2-Hexenol
(Z)-2-hexen-1-ol
cis-2-Hexen-1-ol
76.92
C00001218 Caproic acid
1-Hexanoic acid
Hexanoic acid
n-Hexanoic acid
73.33
C00001254 2-Heptanone
Heptan-2-one
Methyl-n-pentyl ketone
73.33
C00034880 Heptanal
n-Heptanal
73.33
C00035500 4-Heptanol 73.33
C00035501 4-Heptanone 73.33
C00035700 n-Heptanol 73.33
C00035797 6-Methyl-1-heptene 73.33
C00035857 Octane
n-Octane
73.33
C00048247 (S)-2-Heptanol 73.33
C00001308 Ethyl acetate 72.73
C00007666 3-Hydroxybutyl nitrile 72.73
C00035814 1-Butanol
n-Butanol
Butanol
72.73
C00043612 Isobutyramide 72.73
C00039855 N-Methyl-2-pyrrolidone 71.43
C00040580 Tulipalin A 71.43
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