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BG5

BG5
Name:	5-HYDROXYAMINO-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID
Formula:	C6 H12 N2 O3
SMILES:	O=C(O)C1NC(NO)CC1C
InChi:	InChI=1S/C6H12N2O3/c1-3-2-4(8-11)7-5(3)6(9)10/h3-5,7-8,11H,2H2,1H3,(H,9,10)/t3-,4-,5-/m1/s1
Definition date:	2004-07-14
Last modified:	2024-09-27
Identifier:	(3R,5R)-5-(hydroxyamino)-3-methyl-D-proline

BGC

BGC
Name:	beta-D-glucopyranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC(O)C1O)CO
InChi:	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
Synonyms:	beta-D-glucose
Definition date:	2002-01-22
Last modified:	2024-09-27
Identifier:	beta-D-glucopyranose

BGS

BGS
Name:	(1S)-1,5-anhydro-1-(ethylsulfonyl)-D-glucitol
Formula:	C8 H16 O7 S
SMILES:	O=S(=O)(C1OC(C(O)C(O)C1O)CO)CC
InChi:	InChI=1S/C8H16O7S/c1-2-16(13,14)8-7(12)6(11)5(10)4(3-9)15-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1
Synonyms:	BETA-D-GLUCOPYRANOSYLSULFONYLETHANE
Definition date:	2005-10-26
Last modified:	2024-09-27
Identifier:	(1S)-1,5-anhydro-1-(ethylsulfonyl)-D-glucitol

BLA

BLA
Name:	BILIVERDINE IX ALPHA
Formula:	C33 H34 N4 O6
SMILES:	Cc1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C=C)C)C(=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=C4C)C=C
InChi:	InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-{2-((Z)-{3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2H-pyrrol-2-ylidene}methyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid

BMA

BMA
Name:	beta-D-mannopyranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC(O)C1O)CO
InChi:	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
Synonyms:	beta-D-mannose
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	beta-D-mannopyranose

BO8

BO8
Name:	(D-ALPHA-AMINOPIMELYLAMINO)-D-1-ETHYLBORONIC ACID
Formula:	C9 H20 B N2 O6
SMILES:	O=C(NC(C)[B-](O)(O)O)CCCCC(C(=O)O)N
InChi:	InChI=1S/C9H20BN2O6/c1-6(10(16,17)18)12-8(13)5-3-2-4-7(11)9(14)15/h6-7,16-18H,2-5,11H2,1H3,(H,12,13)(H,14,15)/q-1/t6-,7-/m1/s1
Definition date:	2010-05-04
Last modified:	2024-09-27
Identifier:	[(1S)-1-{[(6R)-6-amino-6-carboxyhexanoyl]amino}ethyl](trihydroxy)borate(1-)

BO9

BO9
Name:	N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA-GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL-L-LYSINAMIDE
Formula:	C26 H41 B N4 O10
SMILES:	O=C(OC(C)(C)C)NC(C(=O)O)CCC(=O)NC(C(=O)NC(B(O)O)C)CCCCNC(=O)OCc1ccccc1
InChi:	InChI=1S/C26H41BN4O10/c1-17(27(38)39)29-22(33)19(12-8-9-15-28-24(36)40-16-18-10-6-5-7-11-18)30-21(32)14-13-20(23(34)35)31-25(37)41-26(2,3)4/h5-7,10-11,17,19-20,38-39H,8-9,12-16H2,1-4H3,(H,28,36)(H,29,33)(H,30,32)(H,31,37)(H,34,35)/t17-,19+,20+/m1/s1
Synonyms:	BOC-GAMMA-D-GLU-L-LYS(CBZ)-D-BOROALA
Definition date:	2005-04-18
Last modified:	2024-09-27
Identifier:	N-(tert-butoxycarbonyl)-L-gamma-glutamyl-N~6~-[(benzyloxy)carbonyl]-N-[(1S)-1-(dihydroxyboranyl)ethyl]-L-lysinamide

INC

INC
Name:	2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PENTANOIC ACID METHYL ESTER
Formula:	C9 H17 N O4
SMILES:	O=C(N(O)C(C(=O)OC)CC(C)C)C
InChi:	InChI=1S/C9H17NO4/c1-6(2)5-8(9(12)14-4)10(13)7(3)11/h6,8,13H,5H2,1-4H3/t8-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	methyl N-acetyl-N-hydroxy-D-leucinate

ING

ING
Name:	D-[(AMINO)CARBONYL]PHENYLALANINE
Formula:	C10 H12 N2 O3
SMILES:	O=C(O)C(NC(=O)N)Cc1ccccc1
InChi:	InChI=1S/C10H12N2O3/c11-10(15)12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H3,11,12,15)/t8-/m0/s1
Definition date:	2000-11-21
Last modified:	2024-09-27
Identifier:	N-carbamoyl-L-phenylalanine

BTI

BTI
Name:	5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL
Formula:	C10 H16 N2 O2 S
SMILES:	O=C1NC2C(SCC2N1)CCCCC=O
InChi:	InChI=1S/C10H16N2O2S/c13-5-3-1-2-4-8-9-7(6-15-8)11-10(14)12-9/h5,7-9H,1-4,6H2,(H2,11,12,14)/t7-,8-,9-/m0/s1
Definition date:	2005-03-25
Last modified:	2024-09-27
Identifier:	5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanal

BTN
Name:	BIOTIN
Formula:	C10 H16 N2 O3 S
SMILES:	O=C1NC2C(SCC2N1)CCCCC(=O)O
InChi:	InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid

ACB

ACB
Name:	3-METHYL-BETA-D-ASPARTIC ACID
Formula:	C5 H9 N O4
SMILES:	O=C(O)C(N)C(C(=O)O)C
InChi:	InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3+/m0/s1
Synonyms:	(3S)-3-methyl-D-aspartic acid
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3S)-3-methyl-D-aspartic acid

AGD

AGD
Name:	3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-D-alanine
Formula:	C8 H10 N6 O3
SMILES:	O=C(O)C(N)Cn1c2N=C(NC(=O)c2nc1)N
InChi:	InChI=1S/C8H10N6O3/c9-3(7(16)17)1-14-2-11-4-5(14)12-8(10)13-6(4)15/h2-3H,1,9H2,(H,16,17)(H3,10,12,13,15)/t3-/m1/s1
Definition date:	2008-02-12
Last modified:	2024-09-27
Identifier:	3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-D-alanine

AIR

AIR
Name:	5-AMINOIMIDAZOLE RIBONUCLEOTIDE
Formula:	C8 H14 N3 O7 P
SMILES:	O=P(O)(O)OCC2OC(n1cncc1N)C(O)C2O
InChi:	InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/t4-,6-,7-,8-/m1/s1
Definition date:	1999-10-21
Last modified:	2024-09-27
Identifier:	1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-5-amine

K9J

K9J
Name:	1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
Formula:	C29 H38 N6 O3
SMILES:	c5c(N3Cc1c(c(nc(OC(CN(C)C)C)n1)N2CCN(CC2)C(=O)CC)CC3)c4ccccc4cc5O
InChi:	InChI=1S/C29H38N6O3/c1-5-27(37)33-12-14-34(15-13-33)28-24-10-11-35(26-17-22(36)16-21-8-6-7-9-23(21)26)19-25(24)30-29(31-28)38-20(2)18-32(3)4/h6-9,16-17,20,36H,5,10-15,18-19H2,1-4H3/t20-/m1/s1
Definition date:	2018-11-14
Last modified:	2024-09-27
Release date:	2018-12-12
Identifier:	1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one

K9M

K9M
Name:	1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
Formula:	C24 H27 N5 O
SMILES:	c5c(N2Cc3ncnc(N1CCN(CC1)C(=O)CC)c3CC2)c4ccccc4cc5
InChi:	InChI=1S/C24H27N5O/c1-2-23(30)27-12-14-28(15-13-27)24-20-10-11-29(16-21(20)25-17-26-24)22-9-5-7-18-6-3-4-8-19(18)22/h3-9,17H,2,10-16H2,1H3
Definition date:	2018-11-14
Last modified:	2024-09-27
Release date:	2018-12-12
Identifier:	1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one

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

BXF

BXF
Name:	2-deoxy-2-fluoro-beta-D-xylopyranose
Formula:	C5 H9 F O4
SMILES:	FC1C(O)C(O)COC1O
InChi:	InChI=1S/C5H9FO4/c6-3-4(8)2(7)1-10-5(3)9/h2-5,7-9H,1H2/t2-,3-,4+,5-/m1/s1
Synonyms:	2-deoxy-2-fluoro-beta-D-xylose
Definition date:	2012-03-09
Last modified:	2024-09-27
Release date:	2013-03-06
Identifier:	2-deoxy-2-fluoro-beta-D-xylopyranose

W9N

W9N
Name:	1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one
Formula:	C31 H33 N7 O2
SMILES:	Cn1cnc2cc(ccc12)Oc1ccc(cc1C)c1nn(c2ncnc(C)c21)C1CC2CCC(C1)N2C(=O)CC
InChi:	InChI=1S/C31H33N7O2/c1-5-28(39)37-21-7-8-22(37)14-23(13-21)38-31-29(19(3)32-16-33-31)30(35-38)20-6-11-27(18(2)12-20)40-24-9-10-26-25(15-24)34-17-36(26)4/h6,9-12,15-17,21-23H,5,7-8,13-14H2,1-4H3/t21-,22+,23+
Definition date:	2023-09-27
Last modified:	2024-09-27
Release date:	2024-06-12
Identifier:	1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one

WCJ

WCJ
Name:	N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide
Formula:	C28 H26 F N7 O2
SMILES:	CC(C)C(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C)c1ccc(Oc2nc(C)ccn2)c(F)c1
InChi:	InChI=1S/C28H26FN7O2/c1-15(2)27(37)35-19-8-5-17(6-9-19)24-22(23-25(30)32-14-33-26(23)36(24)4)18-7-10-21(20(29)13-18)38-28-31-12-11-16(3)34-28/h5-15H,1-4H3,(H,35,37)(H2,30,32,33)
Definition date:	2023-05-11
Last modified:	2024-09-27
Release date:	2023-06-07
Identifier:	N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide

C5S

C5S
Name:	N-formyl-D-aspartic acid
Formula:	C5 H7 N O5
SMILES:	C(C(=O)O)C(C(O)=O)NC=O
InChi:	InChI=1S/C5H7NO5/c7-2-6-3(5(10)11)1-4(8)9/h2-3H,1H2,(H,6,7)(H,8,9)(H,10,11)/t3-/m1/s1
Definition date:	2017-09-13
Last modified:	2024-09-27
Release date:	2018-02-21
Identifier:	N-formyl-D-aspartic acid

C66

C66
Name:	2-AMINOETHYLLYSINE-CARBONYLMETHYLENE-CYTOSINE
Formula:	C14 H24 N6 O4
SMILES:	O=C1N=C(C=CN1CC(=O)N(C(C(=O)O)CCCCN)CCN)N
InChi:	InChI=1S/C14H24N6O4/c15-5-2-1-3-10(13(22)23)20(8-6-16)12(21)9-19-7-4-11(17)18-14(19)24/h4,7,10H,1-3,5-6,8-9,15-16H2,(H,22,23)(H2,17,18,24)/t10-/m1/s1
Definition date:	2003-02-19
Last modified:	2024-09-27
Identifier:	N~2~-(2-aminoethyl)-N~2~-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-D-lysine

P7U

P7U
Name:	{(2S)-4-[(7P)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4R,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-[(3S)-2,2,3-trihydroxybutanoyl]piperazin-2-yl}acetonitrile
Formula:	C35 H37 Cl F N7 O5
SMILES:	CC(O)C(O)(O)C(=O)N1CCN(CC1CC#N)c1nc(nc2c(F)c(ncc21)c1cccc2cccc(Cl)c21)OCC12CCCN2CCC1
InChi:	InChI=1S/C35H37ClFN7O5/c1-21(45)35(47,48)32(46)44-17-16-42(19-23(44)10-13-38)31-25-18-39-29(24-8-2-6-22-7-3-9-26(36)27(22)24)28(37)30(25)40-33(41-31)49-20-34-11-4-14-43(34)15-5-12-34/h2-3,6-9,18,21,23,45,47-48H,4-5,10-12,14-17,19-20H2,1H3/t21-,23-/m0/s1
Definition date:	2022-05-25
Last modified:	2024-09-27
Release date:	2022-08-31
Identifier:	{(2S)-4-[(7P)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4R,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-[(3S)-2,2,3-trihydroxybutanoyl]piperazin-2-yl}acetonitrile

PCG

PCG
Name:	CYCLIC GUANOSINE MONOPHOSPHATE
Formula:	C10 H12 N5 O7 P
SMILES:	O=C4NC(=Nc1c4ncn1C3OC2COP(=O)(OC2C3O)O)N
InChi:	InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-amino-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one

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