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


and

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




INPUT WORD = C00007666 , 50% or more
[ Metabolite Name : 3-Hydroxybutyl nitrile ]
Number of matched data : 54

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00019656 4-Aminobutanal
gamma-Aminobutyraldehyde		 90.91
C00007668 3,4-Epithiobutyl nitrile 83.33
C00001428 Putrescine 81.82
C00035784 1-Pentanol
n-Pentanol		 81.82
C00035814 n-Butanol
Butanol		 81.82
C00043612 Isobutyramide 81.82
C00048949 Isovaleraldehyde
3-Methyl-butanal
3-Methylbutanal
3-methylbutanal		 81.82
C00001337 GABA
Gamma-aminobutyric acid
4-Aminobutyric acid
gamma-Aminobutyric acid		 76.92
C00018267 (S)-2-Amino-3-butynoic acid
(S)-Ethynylglycine
Antibiotic FR 900130
FR 900130		 76.92
C00015490 Penitricin D 75.00
C00038233 2-Pyrrolidone
2-Pyrrolidinone		 75.00
C00001350 L-beta-Cyanoalanine 73.33
C00001266 Propanethial S-oxide 72.73
C00001297 Triacetylene 72.73
C00001308 Ethyl acetate 72.73
C00029462 Isobutyric acid
2-Methylpropanoic acid		 72.73
C00035785 pent-1-en-3-one
1-Penten-3-one		 72.73
C00035905 2-Methyl-3-buten-2-ol 72.73
C00049006 n-Hexane 72.73
C00001343 acetidine 2-carboxylic acid
Azetidine-2-carboxylic acid
(2S)-2-Azetidinecarboxylic acid
L-Azetidine 2-carboxylic acid		 71.43
C00029568 5-Hydroxypyrrolidin-2-one 71.43
C00039855 N-Methyl-2-pyrrolidone 71.43
C00000351 (2E)-2-Hexanal
trans-2-Hexenal
(2E)-Hexenal		 69.23
C00000354 trans-2-Hexenol 69.23
C00000355 trans-3-Hexenol
(E)-3-Hexen-1-ol
(E)-3-Hexenol
trans-3-Hexen-1-ol		 69.23
C00000357 Hexanal
n-Hexanal
Hexenal		 69.23
C00000358 Hexan-1-ol
1-Hexanol
Hexanol
n-Hexanol		 69.23
C00001208 Valeric acid
pentanoic acid		 69.23
C00001403 Cadaverine 69.23
C00001413 Hexylamine 69.23
C00019675 2-Ketobutyric acid
2-Oxobutyric acid
2-Oxobutanoic acid
alpha-Ketobutyric acid		 69.23
C00019682 Succinaldehydic acid
beta-Formylpropionic acid
4-Oxobutanoic acid		 69.23
C00033067 Isovalerate 69.23
C00034230 Selenocysteine 69.23
C00034611 N-Methylputrescine 69.23
C00035479 2-Hexen-1-ol 69.23
C00035480 (2E)-Hex-2-enal
2-Hexenal
(E)-Hex-2-enal		 69.23
C00035792 3-Methyl-1-pentanol
3-Methylbutanol		 69.23
C00036488 2-Hexanol 69.23
C00036546 3-Hexen-1-ol 69.23
C00036556 3-Methyl-butanamide 69.23
C00043175 2-Methylbutyramide 69.23
C00048948 3-Hexenal 69.23
C00001353 L-alpha,gamma-Diaminobutyric acid 66.67
C00018591 Penitricin
Ro 09-0804		 66.67
C00018677 Acetylenedicarboxamide
Acetylene diamide
Aquamycin
Cellocidin
Lenamycin
NSC 38643
NSC 65381		 66.67
C00028706 N-Methylpyrrolidine 66.67
C00034612 N-Methylpyrrolinium
N-Methyl-delta1-pyrrolinium cation		 66.67
C00034868 L-2,4-Diaminobutyric acid
DABA
(-)-L-2,4-Diaminobutyric acid		 66.67
C00007566 1-Aminocyclopropane-1-carboxylate 64.29
C00018800 Azirinomycin 64.29
C00029343 (R)-3,4-Dihydroxybutanoic acid gamma-lactone
(+)-(R)-3-Hydroxy-.gamma.-butyrolactone		 64.29
C00040580 Tulipalin A 64.29
C00044142 Cyclohexylamine 64.29
Page Top