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


and

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





INPUT WORD = C00000358 , 50% or more
[ Metabolite Name : Hexan-1-ol , 1-Hexanol , Hexanol , n-Hexanol ]
Number of matched data : 60

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00000351 (2E)-2-Hexanal
trans-2-Hexenal
(2E)-Hexenal
100.00
C00000354 (E)-2-Hexenol
trans-2-Hexenol
100.00
C00000355 trans-3-Hexenol
(E)-3-Hexen-1-ol
(E)-3-Hexenol
trans-3-Hexen-1-ol
100.00
C00000357 Hexanal
n-Hexanal
Hexenal
100.00
C00035479 2-Hexen-1-ol 100.00
C00035480 (2E)-Hex-2-enal
2-Hexenal
(E)-Hex-2-enal
100.00
C00036546 3-Hexen-1-ol 100.00
C00048948 3-Hexenal 100.00
C00000352 (E)-3-Hexenal 92.31
C00000353 cis-3-Hexenal
(Z)-3-Hexenal
(Z)-Hex-3-enal
92.31
C00000356 cis-3-Hexen-1-ol
(Z)-3-hexen-1-ol
(3Z)-3-Hexen-1-ol
cis-3-Hexenol
(Z)-3-Hexenol
92.31
C00001413 1-Hexanamine
Hexylamine
92.31
C00035493 3-Methyl-2-pentanol 92.31
C00035792 3-Methyl-1-pentanol
3-Methylbutanol
92.31
C00036488 2-Hexanol 92.31
C00048963 cis-2-Hexenol
(Z)-2-hexen-1-ol
cis-2-Hexen-1-ol
92.31
C00001218 Caproic acid
1-Hexanoic acid
Hexanoic acid
n-Hexanoic acid
86.67
C00001254 2-Heptanone
Heptan-2-one
Methyl-n-pentyl ketone
86.67
C00034880 Heptanal
n-Heptanal
86.67
C00035700 n-Heptanol 86.67
C00048247 (S)-2-Heptanol 86.67
C00035853 Cyclohexylmethane
Methylcyclohexane
85.71
C00039855 N-Methyl-2-pyrrolidone 85.71
C00040580 Tulipalin A 85.71
C00044142 Cyclohexylamine 85.71
C00001208 pentanoic acid
Valeric acid
84.62
C00001244 Diallyl sulfide 84.62
C00001297 Triacetylene 84.62
C00001403 Cadaverine 84.62
C00029461 2-Methylbutanoic acid
2-Methylbutyric acid
84.62
C00033555 2-Methyl-1,3-butanediol 84.62
C00034611 N-Methylputrescine 84.62
C00035484 2-methylhexane 84.62
C00035617 Ethyl propanoate
Ethyl propionate
84.62
C00035729 Propyl acetate 84.62
C00035779 1,5-Heptadien-3-yne 84.62
C00035784 1-Pentanol
n-Pentanol
84.62
C00036556 3-Methyl-butanamide 84.62
C00043175 2-Methylbutyramide 84.62
C00049006 Hexane
n-Hexane
84.62
C00000318 Caprolactam 81.25
C00034755 trans-2-Heptenal
(E)-2-Heptenal
trans-2-Heptanal
80.00
C00035500 4-Heptanol 80.00
C00035501 4-Heptanone 80.00
C00035797 6-Methyl-1-heptene 80.00
C00035857 Octane
n-Octane
80.00
C00035881 trans-2,4-hexadienal 80.00
C00048958 Butyl acetate 80.00
C00001194 3-(Methylthio)propionic acid 76.92
C00001207 Tiglic acid 76.92
C00001412 Gyromitrin 76.92
C00018267 (S)-2-Amino-3-butynoic acid
(S)-Ethynylglycine
Antibiotic FR 900130
FR 900130
76.92
C00019656 4-Aminobutanal
gamma-Aminobutyraldehyde
76.92
C00019682 Succinaldehydic acid
beta-Formylpropionic acid
4-Oxobutanoic acid
76.92
C00028706 N-Methylpyrrolidine 76.92
C00029460 2-Methyl-2-butenoic acid 76.92
C00034612 N-Methylpyrrolinium
N-Methyl-delta1-pyrrolinium cation
76.92
C00035785 1-Penten-3-one
pent-1-en-3-one
76.92
C00036428 1-Deoxythreitol 76.92
C00048949 3-Methyl-butanal
Isovaleraldehyde
3-Methylbutanal
3-methylbutanal
76.92
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