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22Q

22Q
Name:	(3Z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1H,3H)-dione
Formula:	C9 H12 N2 O2 S
SMILES:	O=C1C(=N/C(C(=O)N1)=CS)CC(C)C
InChi:	InChI=1S/C9H12N2O2S/c1-5(2)3-6-8(12)11-9(13)7(4-14)10-6/h4-5,14H,3H2,1-2H3,(H,11,12,13)/b7-4-
Definition date:	2014-03-12
Last modified:	2023-11-03
Release date:	2015-05-20
Identifier:	(3Z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1H,3H)-dione

22W

22W
Name:	2-[(1S,2S)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4H)-one
Formula:	C9 H12 N2 O2 S
SMILES:	S=C=C1/N=C(OC1=O)C(N)C(C)CC
InChi:	InChI=1S/C9H12N2O2S/c1-3-5(2)7(10)8-11-6(4-14)9(12)13-8/h5,7H,3,10H2,1-2H3/t5-,7-/m0/s1
Definition date:	2014-03-12
Last modified:	2023-11-03
Release date:	2015-05-20
Identifier:	2-[(1S,2S)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4H)-one

23F

23F
Name:	(2Z)-2-AMINO-3-PHENYLACRYLIC ACID
Formula:	C9 H9 N O2
SMILES:	O=C(O)C(/N)=C/c1ccccc1
InChi:	InChI=1S/C9H9NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)/b8-6-
Synonyms:	DEHYDROPHENYLALANINE
Definition date:	2005-10-17
Last modified:	2023-11-03
Identifier:	(2Z)-2-amino-3-phenylprop-2-enoic acid

23P

23P
Name:	3-(propanoylamino)-L-alanine
Formula:	C6 H12 N2 O3
SMILES:	O=C(NCC(N)C(=O)O)CC
InChi:	InChI=1S/C6H12N2O3/c1-2-5(9)8-3-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1
Definition date:	2012-12-12
Last modified:	2023-11-03
Release date:	2013-08-14
Identifier:	3-(propanoylamino)-L-alanine

23S

23S
Name:	(S)-2-AMINO-3-(6H-SELENOLO[2,3-B]-PYRROL-4-YL)-PROPIONIC ACID
Formula:	C9 H10 N2 O2 Se
SMILES:	O=C(O)C(N)Cc2c1cc[se]c1nc2
InChi:	InChI=1S/C9H10N2O2Se/c10-7(9(12)13)3-5-4-11-8-6(5)1-2-14-8/h1-2,4,7,11H,3,10H2,(H,12,13)/t7-/m0/s1
Definition date:	2004-01-02
Last modified:	2023-11-03
Identifier:	3-(6H-selenopheno[2,3-b]pyrrol-4-yl)-L-alanine

24M

24M
Name:	(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid
Formula:	C12 H23 N O3
SMILES:	O=C(O)C1CCCC1C(O)C(N)CC(C)C
InChi:	InChI=1S/C12H23NO3/c1-7(2)6-10(13)11(14)8-4-3-5-9(8)12(15)16/h7-11,14H,3-6,13H2,1-2H3,(H,15,16)/t8-,9-,10+,11+/m1/s1
Definition date:	2011-02-15
Last modified:	2023-11-03
Identifier:	(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid

24O

24O
Name:	(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid
Formula:	C12 H21 N O4
SMILES:	O=C(O)C1CC(=O)CC1C(O)C(N)CC(C)C
InChi:	InChI=1S/C12H21NO4/c1-6(2)3-10(13)11(15)8-4-7(14)5-9(8)12(16)17/h6,8-11,15H,3-5,13H2,1-2H3,(H,16,17)/t8-,9-,10+,11+/m1/s1
Definition date:	2011-02-15
Last modified:	2023-11-03
Identifier:	(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid

28H

28H
Name:	(2R,3R)-3-hydroxy-2,4-dimethylpentanoic acid
Formula:	C7 H14 O3
SMILES:	O=C(O)C(C)C(O)C(C)C
InChi:	InChI=1S/C7H14O3/c1-4(2)6(8)5(3)7(9)10/h4-6,8H,1-3H3,(H,9,10)/t5-,6-/m1/s1
Definition date:	2013-09-10
Last modified:	2023-11-03
Release date:	2014-05-21
Identifier:	(2R,3R)-3-hydroxy-2,4-dimethylpentanoic acid

28J

28J
Name:	D-alloisoleucine
Formula:	C6 H13 N O2
SMILES:	O=C(O)C(N)C(C)CC
InChi:	InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1
Definition date:	2013-09-10
Last modified:	2023-11-03
Release date:	2014-05-21
Identifier:	D-alloisoleucine

28K

28K
Name:	(2E)-3-{(2S)-2-[(1R)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid
Formula:	C7 H10 O4
SMILES:	O=C(O)C=CC1(OC1)C(O)C
InChi:	InChI=1S/C7H10O4/c1-5(8)7(4-11-7)3-2-6(9)10/h2-3,5,8H,4H2,1H3,(H,9,10)/b3-2+/t5?,7-/m0/s1
Definition date:	2013-09-10
Last modified:	2023-11-03
Release date:	2014-05-21
Identifier:	(2E)-3-{(2S)-2-[(1R)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid

HY1

HY1
Name:	PHENYLACETALDEHYDE
Formula:	C8 H8 O
SMILES:	O=CCc1ccccc1
InChi:	InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
Definition date:	1999-08-26
Last modified:	2023-11-03
Identifier:	phenylacetaldehyde

HY3

HY3
Name:	3-HYDROXYPROLINE
Formula:	C5 H9 N O3
SMILES:	O=C(O)C1NCCC1O
InChi:	InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1
Synonyms:	(2S,3S)-3-hydroxypyrrolidine-2-carboxylic acid
Definition date:	2006-03-22
Last modified:	2023-11-03
Identifier:	(3S)-3-hydroxy-L-proline

HYP

HYP
Name:	4-HYDROXYPROLINE
Formula:	C5 H9 N O3
SMILES:	O=C(O)C1NCC(O)C1
InChi:	InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
Synonyms:	HYDROXYPROLINE
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(4R)-4-hydroxy-L-proline

HZP

HZP
Name:	(4S)-4-hydroxy-L-proline
Formula:	C5 H9 N O3
SMILES:	O=C(O)C1NCC(O)C1
InChi:	InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1
Definition date:	2009-04-16
Last modified:	2023-11-03
Identifier:	(4S)-4-hydroxy-L-proline

I0C

I0C
Name:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7~{H}-purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid
Formula:
SMILES:	N[CH](CCN(CCCNc1ncnc2n(cnc12)C3OC(CO)C(O)C3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C(O)=O
InChi:	InChI=1S/C27H38N12O9/c28-12(27(45)46)2-5-37(6-13-17(41)19(43)25(47-13)38-10-35-15-21(29)31-8-33-23(15)38)4-1-3-30-22-16-24(34-9-32-22)39(11-36-16)26-20(44)18(42)14(7-40)48-26/h8-14,17-20,25-26,40-44H,1-7,28H2,(H,45,46)(H2,29,31,33)(H,30,32,34)/t12-,13+,14?,17+,18?,19+,20?,25+,26?/m0/s1
Definition date:	2023-07-24
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid

I1C

I1C
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H16 I N3 O5
SMILES:	C(O)(C)C(C2=NC(=[C@H]c1cc(I)c(cc1)O)C(N2CC(O)=O)=O)N
InChi:	InChI=1S/C15H16IN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1
Definition date:	2019-04-02
Last modified:	2023-11-03
Release date:	2020-04-08
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

I2F

I2F
Name:	(2~{S},4~{R},5~{E})-5-[(5~{S})-5-azanyl-6-oxidanyl-hexyl]iminohexane-1,2,4-triol
Formula:	C12 H26 N2 O5
SMILES:	CC(=NCCCC[CH](N)C(O)O)[CH](O)C[CH](O)CO
InChi:	InChI=1S/C12H26N2O5/c1-8(11(17)6-9(16)7-15)14-5-3-2-4-10(13)12(18)19/h9-12,15-19H,2-7,13H2,1H3/b14-8+/t9-,10-,11+/m0/s1
Definition date:	2022-02-08
Last modified:	2023-11-03
Release date:	2023-02-08
Identifier:	(2~{S},4~{R},5~{E})-5-[(5~{S})-5-azanyl-6,6-bis(oxidanyl)hexyl]iminohexane-1,2,4-triol

I2J

I2J
Name:	2-(2-aminoethoxy)ethan-1-ol
Formula:	C4 H11 N O2
SMILES:	NCCOCCO
InChi:	InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2
Definition date:	2022-01-07
Last modified:	2023-11-03
Release date:	2022-08-03
Identifier:	2-(2-aminoethoxy)ethan-1-ol

I2M

I2M
Name:	3-methyl-L-alloisoleucine
Formula:	C7 H15 N O2
SMILES:	O=C(O)C(N)C(C)(CC)C
InChi:	InChI=1S/C7H15NO2/c1-4-7(2,3)5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m1/s1
Synonyms:	beta-methylisoleucine
Definition date:	2008-06-01
Last modified:	2023-11-03
Identifier:	3-methyl-L-alloisoleucine

I3D

I3D
Name:	5,6-difluoro-tryptophan
Formula:	C11 H10 F2 N2 O2
SMILES:	N[CH](Cc1c[nH]c2cc(F)c(F)cc12)C(O)=O
InChi:	InChI=1S/C11H10F2N2O2/c12-7-2-6-5(1-9(14)11(16)17)4-15-10(6)3-8(7)13/h2-4,9,15H,1,14H2,(H,16,17)/t9-/m0/s1
Synonyms:	(2S)-2-azanyl-3-[5,6-bis(fluoranyl)-1H-indol-3-yl]propanoic acid
Definition date:	2022-02-10
Last modified:	2023-11-03
Release date:	2022-11-23
Identifier:	(2~{S})-2-azanyl-3-[5,6-bis(fluoranyl)-1~{H}-indol-3-yl]propanoic acid

I4G

I4G
Name:	N-(2-methylpropyl)glycine
Formula:	C6 H13 N O2
SMILES:	O=C(O)CNCC(C)C
InChi:	InChI=1S/C6H13NO2/c1-5(2)3-7-4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)
Definition date:	2014-04-04
Last modified:	2023-11-03
Release date:	2014-07-23
Identifier:	N-(2-methylpropyl)glycine

I4O

I4O
Name:	Histidine oxo-vanadium complex
Formula:	C6 H8 N3 O6 V
SMILES:	N[CH](Cc1cn(cn1)[V]([O-])([O-])([O-])=O)C(O)=O
InChi:	InChI=1S/C6H9N3O2.4O.V/c7-5(6(10)11)1-4-2-8-3-9-4
Synonyms:	[4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]imidazol-1-yl]-tris(oxidanidyl)-oxidanylidene-vanadium
Definition date:	2022-02-11
Last modified:	2023-11-03
Release date:	2023-02-01
Identifier:	[4-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]imidazol-1-yl]-tris(oxidanidyl)-oxidanylidene-vanadium

I7F

I7F
Name:	O-hydroxy-L-serine
Formula:	C3 H7 N O4
SMILES:	N[CH](COO)C(O)=O
InChi:	InChI=1S/C3H7NO4/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
Synonyms:	(2S)-2-amino-3-hydroperoxypropanoic acid
Definition date:	2022-02-17
Last modified:	2023-11-03
Release date:	2022-10-26
Identifier:	(2~{S})-2-azanyl-3-(dioxidanyl)propanoic acid

I7X

I7X
Name:	6-imidazol-1-ylhexanoic acid
Formula:	C9 H14 N2 O2
SMILES:	OC(=O)CCCCCn1ccnc1
InChi:	InChI=1S/C9H14N2O2/c12-9(13)4-2-1-3-6-11-7-5-10-8-11/h5,7-8H,1-4,6H2,(H,12,13)
Definition date:	2022-06-14
Last modified:	2023-11-03
Release date:	2023-06-14
Identifier:	6-imidazol-1-ylhexanoic acid

IAE

IAE
Name:	(2S)-2-azanyl-4-[4-(trifluoromethyl)phenyl]butanoic acid
Formula:	C11 H12 F3 N O2
SMILES:	N[CH](CCc1ccc(cc1)C(F)(F)F)C(O)=O
InChi:	InChI=1S/C11H12F3NO2/c12-11(13,14)8-4-1-7(2-5-8)3-6-9(15)10(16)17/h1-2,4-5,9H,3,6,15H2,(H,16,17)/t9-/m0/s1
Definition date:	2022-06-23
Last modified:	2023-11-03
Release date:	2023-07-26
Identifier:	(2~{S})-2-azanyl-4-[4-(trifluoromethyl)phenyl]butanoic acid

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