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4GB

4GB
Name:	N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide
Formula:	C17 H26 N2 O4 S2
SMILES:	O=S(c1ccc(OCSCC)c(c1)NC(=O)C)(=O)N2CCCCCC2
InChi:	InChI=1S/C17H26N2O4S2/c1-3-24-13-23-17-9-8-15(12-16(17)18-14(2)20)25(21,22)19-10-6-4-5-7-11-19/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,18,20)
Definition date:	2015-03-17
Last modified:	2024-09-27
Release date:	2016-10-12
Identifier:	N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide

Z
Name:	1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE
Formula:	C9 H13 N2 O7 P
SMILES:	O=C1N=CC=CN1C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C9H13N2O7P/c12-6-4-8(11-3-1-2-10-9(11)13)18-7(6)5-17-19(14,15)16/h1-3,6-8,12H,4-5H2,(H2,14,15,16)/t6-,7+,8+/m0/s1
Synonyms:	2'-DEOXYZEBULARINE-5'-MONOPHOSPHATE
Definition date:	2002-09-09
Last modified:	2024-09-27
Identifier:	1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)pyrimidin-2(1H)-one

QM8

QM8
Name:	6-Sulfanyl-L-norleucine
Formula:	C6 H13 N O2 S
SMILES:	N[CH](CCCCS)C(O)=O
InChi:	InChI=1S/C6H13NO2S/c7-5(6(8)9)3-1-2-4-10/h5,10H,1-4,7H2,(H,8,9)/t5-/m0/s1
Synonyms:	(2S)-2-azanyl-6-sulfanyl-hexanoic acid
Definition date:	2020-06-30
Last modified:	2024-09-27
Release date:	2022-01-26
Identifier:	(2~{S})-2-azanyl-6-sulfanyl-hexanoic acid

Z50

Z50
Name:	3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}-5-(4-methyl-1H-1,2,3-triazol-1-yl)phenyl)methyl]sulfanyl}propanoic acid
Formula:	C16 H22 N4 O2 S2
SMILES:	Cc1cn(nn1)c2cc(CSCCN)cc(CSCCC(O)=O)c2
InChi:	InChI=1S/C16H22N4O2S2/c1-12-9-20(19-18-12)15-7-13(10-23-4-2-16(21)22)6-14(8-15)11-24-5-3-17/h6-9H,2-5,10-11,17H2,1H3,(H,21,22)
Synonyms:	3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid
Definition date:	2024-01-22
Last modified:	2024-09-27
Release date:	2024-04-24
Identifier:	3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid

NBU

NBU
Name:	N-BUTANE
Formula:	C4 H10
SMILES:	CCCC
InChi:	InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
Definition date:	1999-10-10
Last modified:	2024-09-27
Identifier:	butane

PSH

PSH
Name:	1-thiophosphono-L-histidine
Formula:	C6 H10 N3 O4 P S
SMILES:	O=C(O)C(N)Cc1ncn(c1)P(=O)(S)O
InChi:	InChI=1S/C6H10N3O4PS/c7-5(6(10)11)1-4-2-9(3-8-4)14(12,13)15/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,15)/t5-/m0/s1
Definition date:	2007-09-28
Last modified:	2024-09-27
Identifier:	1-thiophosphono-L-histidine

N
Name:	ANY 5'-MONOPHOSPHATE NUCLEOTIDE
Formula:	C5 H11 O7 P
SMILES:	O=P(OCC1OCC(O)C1O)(O)O
InChi:	InChI=1S/C5H11O7P/c6-3-1-11-4(5(3)7)2-12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1
Synonyms:	1-DEOXY-RIBOFURANOSE-5'-PHOSPHATE
Definition date:	1999-07-13
Last modified:	2024-09-27
Identifier:	1,4-anhydro-5-O-phosphono-D-ribitol

RE6

RE6
Name:	(5R)-5-methylheptanoic acid
Formula:	C8 H16 O2
SMILES:	CCC(C)CCCC(=O)O
InChi:	InChI=1S/C8H16O2/c1-3-7(2)5-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m1/s1
Definition date:	2022-06-22
Last modified:	2024-09-27
Release date:	2022-09-14
Identifier:	(5R)-5-methylheptanoic acid

U8Z

U8Z
Name:	[(~{E})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate
Formula:	C3 H7 O6 P
SMILES:	OCC(O)=CO[P](O)(O)=O
InChi:	InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h2,4-5H,1H2,(H2,6,7,8)/b3-2+
Definition date:	2021-02-03
Last modified:	2024-09-27
Release date:	2021-04-14
Identifier:	[(~{E})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate

YA4

YA4
Name:	[(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid
Formula:	C5 H11 O6 P S
SMILES:	O[CH]1CO[CH](CO[P](O)(S)=O)[CH]1O
InChi:	InChI=1S/C5H11O6PS/c6-3-1-10-4(5(3)7)2-11-12(8,9)13/h3-7H,1-2H2,(H2,8,9,13)/t3-,4+,5-/m0/s1
Definition date:	2021-02-12
Last modified:	2024-09-27
Release date:	2021-08-04
Identifier:	[(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid

QMB

QMB
Name:	5-Mercapto-norvaline
Formula:	C5 H11 N O2 S
SMILES:	N[CH](CCCS)C(O)=O
InChi:	InChI=1S/C5H11NO2S/c6-4(5(7)8)2-1-3-9/h4,9H,1-3,6H2,(H,7,8)/t4-/m0/s1
Synonyms:	(2S)-2-azanyl-5-sulfanyl-pentanoic acid
Definition date:	2020-06-30
Last modified:	2024-09-27
Release date:	2022-01-26
Identifier:	(2~{S})-2-azanyl-5-sulfanyl-pentanoic acid

YA5

YA5
Name:	(8M)-8-{2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Formula:	C16 H10 F N O6 S
SMILES:	FS(=O)(=O)Oc1ccccc1c1cccc2c1NC=C(C2=O)C(=O)O
InChi:	InChI=1S/C16H10FNO6S/c17-25(22,23)24-13-7-2-1-4-9(13)10-5-3-6-11-14(10)18-8-12(15(11)19)16(20)21/h1-8H,(H,18,19)(H,20,21)
Definition date:	2023-11-28
Last modified:	2024-09-27
Release date:	2024-09-25
Identifier:	(8M)-8-{2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

S7H

S7H
Name:	1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
Formula:	C12 H17 N3 O6
SMILES:	C[CH](O)CN1C(=O)N(C[CH]2CO2)C(=O)N(C[CH]3CO3)C1=O
InChi:	InChI=1S/C12H17N3O6/c1-7(16)2-13-10(17)14(3-8-5-20-8)12(19)15(11(13)18)4-9-6-21-9/h7-9,16H,2-6H2,1H3/t7-,8-,9+/m1/s1
Definition date:	2020-11-10
Last modified:	2024-09-27
Release date:	2020-12-02
Identifier:	1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione

RST

RST
Name:	3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose
Formula:	C6 H13 N O3
SMILES:	OC1C(OC(O)CC1N)C
InChi:	InChI=1S/C6H13NO3/c1-3-6(9)4(7)2-5(8)10-3/h3-6,8-9H,2,7H2,1H3/t3-,4+,5+,6-/m0/s1
Synonyms:	RISTOSAMINE
Definition date:	2002-09-02
Last modified:	2024-09-27
Identifier:	3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose

VUB

VUB
Name:	2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylbutanimidoyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid
Formula:	C17 H21 N3 O4
SMILES:	CC(C)CC(=N)c1nc(Cc2ccc(O)cc2)c(O)n1CC(O)=O
InChi:	InChI=1S/C17H21N3O4/c1-10(2)7-13(18)16-19-14(17(24)20(16)9-15(22)23)8-11-3-5-12(21)6-4-11/h3-6,10,18,21,24H,7-9H2,1-2H3,(H,22,23)/b18-13-
Definition date:	2023-04-05
Last modified:	2024-09-27
Release date:	2023-04-12
Identifier:	2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylbutanimidoyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid

O5I

O5I
Name:	2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C20 H27 Cl2 N3 O2
SMILES:	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Nc3ccc(Cl)cc3
InChi:	InChI=1S/C20H27Cl2N3O2/c21-13-18(26)23-14-15-7-11-25(12-8-15)19(27)20(9-1-2-10-20)24-17-5-3-16(22)4-6-17/h3-6,15,24H,1-2,7-14H2,(H,23,26)
Definition date:	2022-08-30
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide

4GG

4GG
Name:	2-(ethylsulfanyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide
Formula:	C15 H19 N3 O S
SMILES:	O=C(CSCC)N(C)Cc1cn(nc1)c2ccccc2
InChi:	InChI=1S/C15H19N3OS/c1-3-20-12-15(19)17(2)10-13-9-16-18(11-13)14-7-5-4-6-8-14/h4-9,11H,3,10,12H2,1-2H3
Definition date:	2015-03-17
Last modified:	2024-09-27
Release date:	2016-10-12
Identifier:	2-(ethylsulfanyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide

PSK

PSK
Name:	[(3R,4S)-4-HYDROXY-3-METHYL-2-OXOHEXYL]PHOSPHONIC ACID
Formula:	C7 H15 O4 P
SMILES:	O=C(C(C(O)CC)C)CP(=O)O
InChi:	InChI=1S/C7H15O4P/c1-3-6(8)5(2)7(9)4-12(10)11/h5-6,8,12H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1
Definition date:	2006-06-06
Last modified:	2024-09-27
Identifier:	(S)-[(3R,4S)-4-hydroxy-3-methyl-2-oxohexyl]phosphinic acid

R0K

R0K
Name:	(2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanedioic acid
Formula:	C11 H18 N2 O7
SMILES:	N[CH](CCC(=O)N[CH](CCCC(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C11H18N2O7/c12-6(10(17)18)4-5-8(14)13-7(11(19)20)2-1-3-9(15)16/h6-7H,1-5,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-/m0/s1
Definition date:	2023-03-29
Last modified:	2024-09-27
Release date:	2023-04-05
Identifier:	(2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanedioic acid

KI1

KI1
Name:	1-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-sulfanylpropan-1-one
Formula:	C15 H17 Cl F3 N O2 S
SMILES:	O=C(N2CCC(O)(c1ccc(Cl)c(c1)C(F)(F)F)CC2)CCS
InChi:	InChI=1S/C15H17ClF3NO2S/c16-12-2-1-10(9-11(12)15(17,18)19)14(22)4-6-20(7-5-14)13(21)3-8-23/h1-2,9,22-23H,3-8H2
Definition date:	2013-01-08
Last modified:	2024-09-27
Release date:	2013-03-06
Identifier:	1-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-sulfanylpropan-1-one

UMA

UMA
Name:	URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE
Formula:	C23 H36 N4 O20 P2
SMILES:	O=P(OC1OC(C(O)C(OC(C(=O)NC(C(=O)O)C)C)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:	InChI=1S/C23H36N4O20P2/c1-8(21(35)36)24-19(34)9(2)43-18-14(25-10(3)29)22(45-11(6-28)16(18)32)46-49(40,41)47-48(38,39)42-7-12-15(31)17(33)20(44-12)27-5-4-13(30)26-23(27)37/h4-5,8-9,11-12,14-18,20,22,28,31-33H,6-7H2,1-3H3,(H,24,34)(H,25,29)(H,35,36)(H,38,39)(H,40,41)(H,26,30,37)/t8-,9+,11+,12+,14+,15+,16+,17+,18+,20+,22+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-2-{[(2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoic acid (non-preferred name)

ZPN

ZPN
Name:	(2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide
Formula:	C29 H39 N O6
SMILES:	O=C(/C=CC=CC)NC(O)C1OC(=O)C=CC=C(CC(=O)CCCC2OC(C=C(C)C1)CC(=C)/C2)C
InChi:	InChI=1S/C29H39NO6/c1-5-6-7-13-27(32)30-29(34)26-19-22(4)18-25-17-21(3)16-24(35-25)12-9-11-23(31)15-20(2)10-8-14-28(33)36-26/h5-8,10,13-14,18,24-26,29,34H,3,9,11-12,15-17,19H2,1-2,4H3,(H,30,32)/b6-5+,13-7-,14-8+,20-10-,22-18+/t24-,25-,26-,29-/m0/s1
Synonyms:	(-)-ZAMPANOLIDE (Bound form)
Definition date:	2012-12-20
Last modified:	2024-09-27
Release date:	2013-01-18
Identifier:	(2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide

XX0

XX0
Name:	2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide
Formula:	C12 H14 Cl2 N2 O4 S
SMILES:	C(C(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N2CCOCC2)Cl
InChi:	InChI=1S/C12H14Cl2N2O4S/c13-8-12(17)15-9-1-2-10(14)11(7-9)21(18,19)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)
Definition date:	2019-07-03
Last modified:	2024-09-27
Release date:	2019-07-24
Identifier:	2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide

KI2

KI2
Name:	3-BENZYLOXYCARBONYLAMINO-2-HYDROXY-4-PHENYL-BUTYRIC ACID
Formula:	C18 H19 N O5
SMILES:	O=C(O)C(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2
InChi:	InChI=1S/C18H19NO5/c20-16(17(21)22)15(11-13-7-3-1-4-8-13)19-18(23)24-12-14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H,19,23)(H,21,22)/t15-,16+/m0/s1
Definition date:	2002-12-23
Last modified:	2024-09-27
Identifier:	(2R,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutanoic acid

4GJ

4GJ
Name:	3-(pyridin-4-yldisulfanyl)-L-alanine
Formula:	C8 H10 N2 O2 S2
SMILES:	n1ccc(SSCC(N)C(O)=O)cc1
InChi:	InChI=1S/C8H10N2O2S2/c9-7(8(11)12)5-13-14-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1
Definition date:	2015-03-17
Last modified:	2024-09-27
Release date:	2015-07-15
Identifier:	3-(pyridin-4-yldisulfanyl)-L-alanine

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