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ALN

ALN
Name:	NAPHTHALEN-2-YL-3-ALANINE
Formula:	C13 H13 N O2
SMILES:	O=C(O)C(N)Cc2cccc1ccccc12
InChi:	InChI=1S/C13H13NO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-3-naphthalen-1-ylpropanoic acid (non-preferred name)

ALO

ALO
Name:	ALLO-THREONINE
Formula:	C4 H9 N O3
SMILES:	O=C(O)C(N)C(O)C
InChi:	InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	L-allothreonine

ALP

ALP
Name:	2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
Formula:	C9 H15 N O5 S
SMILES:	O=C(O)C(CO)C1SC(C(C(=O)O)N1)(C)C
InChi:	InChI=1S/C9H15NO5S/c1-9(2)5(8(14)15)10-6(16-9)4(3-11)7(12)13/h4-6,10-11H,3H2,1-2H3,(H,12,13)(H,14,15)/t4-,5+,6-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R,4S)-2-[(1S)-1-carboxy-2-hydroxyethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

ALQ

ALQ
Name:	2-METHYL-PROPIONIC ACID
Formula:	C4 H8 O2
SMILES:	O=C(O)C(C)C
InChi:	InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
Definition date:	2000-08-25
Last modified:	2024-09-27
Identifier:	2-methylpropanoic acid

ALS

ALS
Name:	(3S)-3-(sulfooxy)-L-serine
Formula:	C3 H7 N O7 S
SMILES:	C(C(C(OS(O)(=O)=O)O)N)(O)=O
InChi:	InChI=1S/C3H7NO7S/c4-1(2(5)6)3(7)11-12(8,9)10/h1,3,7H,4H2,(H,5,6)(H,8,9,10)/t1-,3+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3S)-3-(sulfooxy)-L-serine

ALT

ALT
Name:	THIOALANINE
Formula:	C3 H7 N O S
SMILES:	S=C(O)C(N)C
InChi:	InChI=1S/C3H7NOS/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-2-aminopropanethioic O-acid

ALV

ALV
Name:	(2S)-2-aminopropane-1,1-diol
Formula:	C3 H9 N O2
SMILES:	OC(O)C(N)C
InChi:	InChI=1S/C3H9NO2/c1-2(4)3(5)6/h2-3,5-6H,4H2,1H3/t2-/m0/s1
Definition date:	2010-10-07
Last modified:	2024-09-27
Identifier:	(2S)-2-aminopropane-1,1-diol

ALY

ALY
Name:	N(6)-ACETYLLYSINE
Formula:	C8 H16 N2 O3
SMILES:	O=C(NCCCCC(N)C(=O)O)C
InChi:	InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
Definition date:	2000-08-18
Last modified:	2024-09-27
Identifier:	N~6~-acetyl-L-lysine

AME

AME
Name:	N-ACETYLMETHIONINE
Formula:	C7 H13 N O3 S
SMILES:	O=C(NC(C(=O)O)CCSC)C
InChi:	InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1
Definition date:	2000-05-11
Last modified:	2024-09-27
Identifier:	N-acetyl-L-methionine

AML

AML
Name:	AMYLAMINE
Formula:	C5 H13 N
SMILES:	NCCCCC
InChi:	InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3
Definition date:	2001-07-05
Last modified:	2024-09-27
Identifier:	pentan-1-amine

AMU

AMU
Name:	N-acetyl-beta-muramic acid
Formula:	C11 H19 N O8
SMILES:	O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C
InChi:	InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11-/m1/s1
Synonyms:	N-acetyl-muramic acid
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranose

AMV

AMV
Name:	methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside
Formula:	C12 H21 N O8
SMILES:	O=C(O)C(OC1C(O)C(OC(OC)C1NC(=O)C)CO)C
InChi:	InChI=1S/C12H21NO8/c1-5(11(17)18)20-10-8(13-6(2)15)12(19-3)21-7(4-14)9(10)16/h5,7-10,12,14,16H,4H2,1-3H3,(H,13,15)(H,17,18)/t5-,7-,8-,9-,10-,12-/m1/s1
Synonyms:	METHYL 2-(ACETYLAMINO)-3-O-[(1R)-1-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
Definition date:	2006-10-25
Last modified:	2024-09-27
Identifier:	methyl 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside

AN6

AN6
Name:	5'-{[(3S)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine
Formula:	C16 H25 N7 O5
SMILES:	O=C(O)C(N)CCN(CC)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C16H25N7O5/c1-2-22(4-3-8(17)16(26)27)5-9-11(24)12(25)15(28-9)23-7-21-10-13(18)19-6-20-14(10)23/h6-9,11-12,15,24-25H,2-5,17H2,1H3,(H,26,27)(H2,18,19,20)/t8-,9+,11+,12+,15+/m0/s1
Definition date:	2009-07-28
Last modified:	2024-09-27
Identifier:	5'-{[(3S)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine

ANN

ANN
Name:	4-METHOXYBENZOIC ACID
Formula:	C8 H8 O3
SMILES:	O=C(O)c1ccc(OC)cc1
InChi:	InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
Synonyms:	P-ANISIC ACID
Definition date:	2003-03-20
Last modified:	2024-09-27
Identifier:	4-methoxybenzoic acid

ANR

ANR
Name:	ANHYDRORETINOL
Formula:	C20 H28
SMILES:	C(=C1/C(=CCCC1(C)C)C)C=C(C=CC=C(C=C)C)C
InChi:	InChI=1S/C20H28/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-14H,1,9,15H2,2-6H3/b11-8+,16-10+,17-13+,19-14-
Synonyms:	(6E)-6-[(2E,4E,6E)-3,7-DIMETHYLNONA-2,4,6,8-TETRAENYLIDENE]-1,5,5-TRIMETHYLCYCLOHEXENE
Definition date:	2004-08-31
Last modified:	2024-09-27
Identifier:	(6E)-6-[(2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ylidene]-1,5,5-trimethylcyclohexene

ANS

ANS
Name:	5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)
Formula:	C12 H13 N O3 S
SMILES:	O=S(=O)(O)c1cccc2c1cccc2N(C)C
InChi:	InChI=1S/C12H13NO3S/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16/h3-8H,1-2H3,(H,14,15,16)
Synonyms:	DANSYL ACID
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	5-(dimethylamino)naphthalene-1-sulfonic acid

AO0

AO0
Name:	1-[3-(diphenoxyphosphorylamino)phenyl]ethanone
Formula:	C20 H18 N O4 P
SMILES:	CC(=O)c1cccc(N[P](=O)(Oc2ccccc2)Oc3ccccc3)c1
InChi:	InChI=1S/C20H18NO4P/c1-16(22)17-9-8-10-18(15-17)21-26(23,24-19-11-4-2-5-12-19)25-20-13-6-3-7-14-20/h2-15H,1H3,(H,21,23)
Definition date:	2023-05-16
Last modified:	2024-09-27
Release date:	2024-05-15
Identifier:	1-[3-(diphenoxyphosphorylamino)phenyl]ethanone

HVP

HVP
Name:	2-(fluorosulfonyl)benzene-1-sulfonic acid
Formula:	C6 H5 F O5 S2
SMILES:	c1(S(F)(=O)=O)c(S(=O)(O)=O)cccc1
InChi:	InChI=1S/C6H5FO5S2/c7-13(8,9)5-3-1-2-4-6(5)14(10,11)12/h1-4H,(H,10,11,12)
Definition date:	2018-07-26
Last modified:	2024-09-27
Release date:	2019-07-24
Identifier:	2-(fluorosulfonyl)benzene-1-sulfonic acid

HVV

HVV
Name:	(4S,5R)-4,5-dihydroxy-5-[(3E,6E)-octa-3,6-dien-1-yl]pyrrolidin-2-one
Formula:	C12 H19 N O3
SMILES:	CC=CCC=[C@H]CCC1(NC(=O)CC1O)O
InChi:	InChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-12(16)10(14)9-11(15)13-12/h2-3,5-6,10,14,16H,4,7-9H2,1H3,(H,13,15)/b3-2+,6-5+/t10-,12+/m0/s1
Synonyms:	cerulenin, bound form
Definition date:	2018-07-26
Last modified:	2024-09-27
Release date:	2019-07-31
Identifier:	(4S,5R)-4,5-dihydroxy-5-[(3E,6E)-octa-3,6-dien-1-yl]pyrrolidin-2-one

HVW

HVW
Name:	(2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
Formula:	C24 H29 F3 N2 O3 S
SMILES:	CC(C)C[CH](N[CH](c1ccc(cc1)c2ccc(cc2)[S](C)(=O)=O)C(F)(F)F)C(=O)NCC=C
InChi:	InChI=1S/C24H29F3N2O3S/c1-5-14-28-23(30)21(15-16(2)3)29-22(24(25,26)27)19-8-6-17(7-9-19)18-10-12-20(13-11-18)33(4,31)32/h5-13,16,21-22,29H,1,14-15H2,2-4H3,(H,28,30)/t21-,22-/m0/s1
Definition date:	2018-12-21
Last modified:	2024-09-27
Release date:	2019-02-06
Identifier:	(2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide

HVY

HVY
Name:	N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide
Formula:	C32 H35 Cl N8 O2
SMILES:	CN5CCN(c1ccc(cc1)Nc2nc(c(cn2)C(=O)Nc3c(cccc3C)Cl)Nc4c(cccc4)NC(=O)CC)CC5
InChi:	InChI=1S/C32H35ClN8O2/c1-4-28(42)36-26-10-5-6-11-27(26)37-30-24(31(43)38-29-21(2)8-7-9-25(29)33)20-34-32(39-30)35-22-12-14-23(15-13-22)41-18-16-40(3)17-19-41/h5-15,20H,4,16-19H2,1-3H3,(H,36,42)(H,38,43)(H2,34,35,37,39)
Definition date:	2018-07-26
Last modified:	2024-09-27
Release date:	2019-07-31
Identifier:	N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide

HVZ

HVZ
Name:	~{N}-[[1-[(4-chlorophenyl)methyl]-1,2,3-triazol-4-yl]methyl]-2-hydrosulfonyl-2-methyl-propanamide
Formula:	C14 H17 Cl N4 O3 S
SMILES:	CC(C)(C(=O)NCc1cn(Cc2ccc(Cl)cc2)nn1)[SH](=O)=O
InChi:	InChI=1S/C14H17ClN4O3S/c1-14(2,23(21)22)13(20)16-7-12-9-19(18-17-12)8-10-3-5-11(15)6-4-10/h3-6,9,23H,7-8H2,1-2H3,(H,16,20)
Definition date:	2018-12-21
Last modified:	2024-09-27
Release date:	2020-04-08
Identifier:	~{N}-[[1-[(4-chlorophenyl)methyl]-1,2,3-triazol-4-yl]methyl]-2-hydrosulfonyl-2-methyl-propanamide

HXD

HXD
Name:	(3R)-3-HYDROXYDODECANOIC ACID
Formula:	C12 H24 O3
SMILES:	O=C(O)CC(O)CCCCCCCCC
InChi:	InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m1/s1
Synonyms:	3-OH-DODECANOATE
Definition date:	2006-01-31
Last modified:	2024-09-27
Identifier:	(3R)-3-hydroxydodecanoic acid

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:	2024-09-27
Identifier:	(3S)-3-hydroxy-L-proline

HY4

HY4
Name:	(2R)-2,3-dibutoxypropyl hydrogen (S)-propylphosphonate
Formula:	C14 H31 O5 P
SMILES:	O=P(OCC(OCCCC)COCCCC)(O)CCC
InChi:	InChI=1S/C14H31O5P/c1-4-7-9-17-12-14(18-10-8-5-2)13-19-20(15,16)11-6-3/h14H,4-13H2,1-3H3,(H,15,16)/t14-/m1/s1
Definition date:	2014-04-16
Last modified:	2024-09-27
Release date:	2014-06-11
Identifier:	(2R)-2,3-dibutoxypropyl hydrogen (S)-propylphosphonate

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