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DI8

DI8
Name:	(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Formula:	C10 H11 N O2
SMILES:	O=C(O)C2NCc1ccccc1C2
InChi:	InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1
Definition date:	2014-12-10
Last modified:	2023-11-03
Release date:	2015-01-14
Identifier:	(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

DIB

DIB
Name:	3-AMINO-(DIMETHYLPROPYLAMINE)
Formula:	C5 H14 N2
SMILES:	NCCCN(C)C
InChi:	InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3
Definition date:	2002-08-08
Last modified:	2023-11-03
Identifier:	N,N-dimethylpropane-1,3-diamine

DIL

DIL
Name:	D-ISOLEUCINE
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-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-isoleucine

DIV

DIV
Name:	D-ISOVALINE
Formula:	C5 H11 N O2
SMILES:	O=C(O)C(N)(C)CC
InChi:	InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-isovaline

DIX

DIX
Name:	METHYL(CYCLOPENTYL-PROPYL)AMINE
Formula:	C9 H19 N
SMILES:	N(CCCC1CCCC1)C
InChi:	InChI=1S/C9H19N/c1-10-8-4-7-9-5-2-3-6-9/h9-10H,2-8H2,1H3
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-cyclopentyl-N-methylpropan-1-amine

DIY

DIY
Name:	5-BUTYLPIPERIDINE
Formula:	C9 H19 N
SMILES:	N1CCCC(CCCC)C1
InChi:	InChI=1S/C9H19N/c1-2-3-5-9-6-4-7-10-8-9/h9-10H,2-8H2,1H3/t9-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(3R)-3-butylpiperidine

DJD

DJD
Name:	4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine
Formula:	C12 H13 N5 O2
SMILES:	NC(Cc1ccc(cc1)c2nnc(C)nn2)C(O)=O
InChi:	InChI=1S/C12H13N5O2/c1-7-14-16-11(17-15-7)9-4-2-8(3-5-9)6-10(13)12(18)19/h2-5,10H,6,13H2,1H3,(H,18,19)/t10-/m0/s1
Definition date:	2017-10-26
Last modified:	2023-11-03
Release date:	2019-10-02
Identifier:	4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine

ARM

ARM
Name:	DEOXY-METHYL-ARGININE
Formula:	C7 H16 N4 O
SMILES:	O=C(C)C(N)CCCNC(=[N@H])N
InChi:	InChI=1S/C7H16N4O/c1-5(12)6(8)3-2-4-11-7(9)10/h6H,2-4,8H2,1H3,(H4,9,10,11)/t6-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	1-[(4S)-4-amino-5-oxohexyl]guanidine

ARO

ARO
Name:	C-GAMMA-HYDROXY ARGININE
Formula:	C6 H15 N4 O3
SMILES:	O=C(O)C(N)CC(O)CNC(N)=[NH2+]
InChi:	InChI=1S/C6H14N4O3/c7-4(5(12)13)1-3(11)2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/p+1/t3-,4+/m1/s1
Definition date:	2000-09-05
Last modified:	2023-11-03
Identifier:	amino{[(2R,4S)-4-amino-2,5-dihydroxy-5-oxopentyl]amino}methaniminium

ASA

ASA
Name:	ASPARTIC ALDEHYDE
Formula:	C4 H7 N O3
SMILES:	O=CC(N)CC(=O)O
InChi:	InChI=1S/C4H7NO3/c5-3(2-6)1-4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(3S)-3-amino-4-oxobutanoic acid

ASB

ASB
Name:	ASPARTIC ACID-4-CARBOXYMETHYL ESTER
Formula:	C6 H9 N O6
SMILES:	O=C(OCC(=O)O)CC(C(=O)O)N
InChi:	InChI=1S/C6H9NO6/c7-3(6(11)12)1-5(10)13-2-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(2S)-2-amino-4-(carboxymethoxy)-4-oxobutanoic acid (non-preferred name)

ASJ

ASJ
Name:	(3S)-3-amino-4-hydroxybutanoic acid
Formula:	C4 H9 N O3
SMILES:	O=C(O)CC(N)CO
InChi:	InChI=1S/C4H9NO3/c5-3(2-6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
Definition date:	2010-10-07
Last modified:	2023-11-03
Identifier:	(3S)-3-amino-4-hydroxybutanoic acid

ASL

ASL
Name:	ASPARTIC ACID-4-CARBOXYETHYL ESTER
Formula:	C7 H11 N O6
SMILES:	O=C(OC(C(=O)O)C)CC(C(=O)O)N
InChi:	InChI=1S/C7H11NO6/c1-3(6(10)11)14-5(9)2-4(8)7(12)13/h3-4H,2,8H2,1H3,(H,10,11)(H,12,13)
Definition date:	1999-09-09
Last modified:	2023-11-03
Identifier:	2-amino-4-(1-carboxyethoxy)-4-oxobutanoic acid (non-preferred name)

ASN

ASN
Name:	ASPARAGINE
Formula:	C4 H8 N2 O3
SMILES:	O=C(N)CC(N)C(=O)O
InChi:	InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	L-asparagine

ASP

ASP
Name:	ASPARTIC ACID
Formula:	C4 H7 N O4
SMILES:	O=C(O)CC(N)C(=O)O
InChi:	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	L-aspartic acid

ASX

ASX
Name:	ASP/ASN AMBIGUOUS
Formula:	C4 H6 N O2 X2
SMILES:	C(C[CH](N)C(O)=O)(=[F,Cl,Br,I])[F,Cl,Br,I]
Definition date:	1999-07-08
Last modified:	2023-11-03

AUX

AUX
Name:	4-METHYL-4-[8-QUINOLINIUM-4-ENE]-4,N-METHYL-THREONINE
Formula:	C21 H29 N2 O3
SMILES:	CN[CH]([CH](O)[CH](C)CC=CCCC[n+]1cccc2ccccc12)C(O)=O
InChi:	InChI=1S/C21H28N2O3/c1-16(20(24)19(22-2)21(25)26)10-5-3-4-8-14-23-15-9-12-17-11-6-7-13-18(17)23/h3,5-7,9,11-13,15-16,19-20,22,24H,4,8,10,14H2,1-2H3/p+1/b5-3+/t16-,19+,20-/m1/s1
Definition date:	2015-05-14
Last modified:	2023-11-03
Release date:	2015-12-29
Identifier:	(E,2S,3R,4R)-4-methyl-2-(methylamino)-3-oxidanyl-10-quinolin-1-ium-1-yl-dec-6-enoic acid

AY0

AY0
Name:	(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid
Formula:	C12 H14 N O7 P
SMILES:	O=C(NC)C2C(c1ccc(OP(=O)(O)O)cc1)C2C(=O)O
InChi:	InChI=1S/C12H14NO7P/c1-13-11(14)9-8(10(9)12(15)16)6-2-4-7(5-3-6)20-21(17,18)19/h2-5,8-10H,1H3,(H,13,14)(H,15,16)(H2,17,18,19)/t8-,9+,10+/m0/s1
Definition date:	2010-10-09
Last modified:	2023-11-03
Identifier:	(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid

AZ1

AZ1
Name:	AZELAIC ACID
Formula:	C9 H16 O4
SMILES:	O=C(O)CCCCCCCC(=O)O
InChi:	InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
Definition date:	2004-07-07
Last modified:	2023-11-03
Identifier:	nonanedioic acid

AZH

AZH
Name:	AZIDOHOMOALANINE
Formula:	C4 H9 N4 O2
SMILES:	O=C(O)C(N)CCN=[N+]=[N@H]
InChi:	InChI=1S/C4H8N4O2/c5-3(4(9)10)1-2-7-8-6/h3,6H,1-2,5H2/p+1/t3-/m0/s1
Definition date:	2010-08-09
Last modified:	2023-11-03
Identifier:	1-[(3S)-3-amino-3-carboxypropyl]triaza-1,2-dien-2-ium

AZK

AZK
Name:	(S)-2-AMINO-6-AZIDOHEXANOIC ACID
Formula:	C6 H14 N4 O
SMILES:	[N-]=[N+]=N/CCCCC(N)CO
InChi:	InChI=1S/C6H14N4O/c7-6(5-11)3-1-2-4-9-10-8/h6,11H,1-5,7H2/t6-/m0/s1
Synonyms:	EPSILON-AZIDO-LYSINE
Definition date:	2005-08-04
Last modified:	2023-11-03
Identifier:	(2S)-2-amino-6-azidohexan-1-ol

B27

B27
Name:	(2R,3S) 3-amino-4-mercapto-2-butanol
Formula:	C4 H11 N O S
SMILES:	OC(C)C(N)CS
InChi:	InChI=1S/C4H11NOS/c1-3(6)4(5)2-7/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1
Synonyms:	(2R,3S)-3-amino-4-sulfanylbutan-2-ol
Definition date:	2009-05-20
Last modified:	2023-11-03
Identifier:	(2R,3S)-3-amino-4-sulfanylbutan-2-ol

B2A

B2A
Name:	ALANINE BORONIC ACID
Formula:	C2 H8 B N O2
SMILES:	OB(O)C(N)C
InChi:	InChI=1S/C2H8BNO2/c1-2(4)3(5)6/h2,5-6H,4H2,1H3/t2-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	[(1R)-1-aminoethyl]boronic acid

B2C

B2C
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H16 Br N3 O5
SMILES:	C(O)(C)C(C2=NC(=[C@H]c1cc(Br)c(cc1)O)C(N2CC(O)=O)=O)N
InChi:	InChI=1S/C15H16BrN3O5/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-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

B2F

B2F
Name:	PHENYLALANINE BORONIC ACID
Formula:	C8 H12 B N O2
SMILES:	OB(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C8H12BNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,11-12H,6,10H2/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	[(1R)-1-amino-2-phenylethyl]boronic acid

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