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W3I

W3I
Name:	(1S)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol
Formula:	C22 H28 F3 N5 O3
SMILES:	CC(C)[CH](O)c1nc(cn1C23CC(C2)(C3)N4CCOCC4)c5cnc(N)c(OC(F)(F)F)c5
InChi:	InChI=1S/C22H28F3N5O3/c1-13(2)17(31)19-28-15(14-7-16(18(26)27-8-14)33-22(23,24)25)9-30(19)21-10-20(11-21,12-21)29-3-5-32-6-4-29/h7-9,13,17,31H,3-6,10-12H2,1-2H3,(H2,26,27)/t17-,20-,21+/m0/s1
Definition date:	2023-04-26
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(1~{S})-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol

W78

W78
Name:	3-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-18-oxidanyl-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-6~{H}-imidazo[4,5-d]pyridazin-7-one
Formula:	C20 H22 F N9 O10 P2 S2
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](S)(=O)O[CH]5[CH](O)[CH](CO[P](S)(=O)O[CH]4[CH]3F)O[CH]5n6cnc7C(=O)NN=Cc67
InChi:	InChI=1S/C20H22FN9O10P2S2/c21-10-14-9(38-19(10)30-6-26-12-16(22)23-4-24-17(12)30)3-36-42(34,44)40-15-13(31)8(2-35-41(33,43)39-14)37-20(15)29-5-25-11-7(29)1-27-28-18(11)32/h1,4-6,8-10,13-15,19-20,31H,2-3H2,(H,28,32)(H,33,43)(H,34,44)(H2,22,23,24)/t8-,9-,10-,13-,14-,15-,19-,20-,41-,42-/m1/s1
Definition date:	2023-05-09
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	3-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-18-oxidanyl-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-6~{H}-imidazo[4,5-d]pyridazin-7-one

IUK

IUK
Name:	4-methyl-3-[(4-methylphenyl)sulfonylamino]-~{N}-[(6-methylpyridin-3-yl)methyl]benzamide
Formula:	C22 H23 N3 O3 S
SMILES:	Cc1ccc(cc1)[S](=O)(=O)Nc2cc(ccc2C)C(=O)NCc3ccc(C)nc3
InChi:	InChI=1S/C22H23N3O3S/c1-15-4-10-20(11-5-15)29(27,28)25-21-12-19(9-6-16(21)2)22(26)24-14-18-8-7-17(3)23-13-18/h4-13,25H,14H2,1-3H3,(H,24,26)
Synonyms:	Y48
Definition date:	2022-07-15
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	4-methyl-3-[(4-methylphenyl)sulfonylamino]-~{N}-[(6-methylpyridin-3-yl)methyl]benzamide

WWU

WWU
Name:	1-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazole-5-carboxamide
Formula:	C38 H42 N10 O9
SMILES:	CCc1nc(C)oc1C(=O)Nc1nc2cc(cc(OCCCO)c2n1CC=CCn1c2c(OC)cc(cc2nc1NC(=O)c1oc(C)nc1CC)C(N)=O)C(N)=O
InChi:	InChI=1S/C38H42N10O9/c1-6-23-31(56-19(3)41-23)35(52)45-37-43-25-15-21(33(39)50)17-27(54-5)29(25)47(37)11-8-9-12-48-30-26(16-22(34(40)51)18-28(30)55-14-10-13-49)44-38(48)46-36(53)32-24(7-2)42-20(4)57-32/h8-9,15-18,49H,6-7,10-14H2,1-5H3,(H2,39,50)(H2,40,51)(H,43,45,52)(H,44,46,53)/b9-8+
Definition date:	2023-05-21
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	1-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazole-5-carboxamide

WX8

WX8
Name:	3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide
Formula:	C36 H39 N11 O8
SMILES:	CCc1nc(C)oc1C(=O)Nc1nc2cc(cnc2n1CC=CCn1c2c(OCCCO)cc(cc2nc1NC(=O)c1oc(C)nc1CC)C(N)=O)C(N)=O
InChi:	InChI=1S/C36H39N11O8/c1-5-22-28(54-18(3)40-22)33(51)44-35-42-24-14-20(30(37)49)16-26(53-13-9-12-48)27(24)46(35)10-7-8-11-47-32-25(15-21(17-39-32)31(38)50)43-36(47)45-34(52)29-23(6-2)41-19(4)55-29/h7-8,14-17,48H,5-6,9-13H2,1-4H3,(H2,37,49)(H2,38,50)(H,42,44,51)(H,43,45,52)/b8-7+
Definition date:	2023-05-21
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide

X5T

X5T
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-1-methyl-2-oxidanylidene-quinolin-6-yl]pyrazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C37 H49 N9 O16 P2
SMILES:	COCCO[CH]1CC[CH](CC1)NC2=CC(=O)N(C)c3ccc(cc23)c4cnn(c4)[CH]5O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]6O[CH]([CH](O)[CH]6O)n7cnc8c(N)ncnc78)[CH](O)[CH]5O
InChi:	InChI=1S/C37H49N9O16P2/c1-44-25-8-3-19(11-23(25)24(12-28(44)47)43-21-4-6-22(7-5-21)57-10-9-56-2)20-13-42-46(14-20)37-33(51)31(49)27(61-37)16-59-64(54,55)62-63(52,53)58-15-26-30(48)32(50)36(60-26)45-18-41-29-34(38)39-17-40-35(29)45/h3,8,11-14,17-18,21-22,26-27,30-33,36-37,43,48-51H,4-7,9-10,15-16H2,1-2H3,(H,52,53)(H,54,55)(H2,38,39,40)/t21-,22-,26-,27-,30-,31-,32-,33-,36-,37-/m1/s1
Definition date:	2023-06-01
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-1-methyl-2-oxidanylidene-quinolin-6-yl]pyrazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

YWR

YWR
Name:	K2[Ru2(DAniF)(CO3)3]
Formula:	C18 H16 N2 O11 Ru2
SMILES:	COc1ccc(cc1)N2CN(c3ccc(OC)cc3)[Ru]45OC(=O)O[Ru]2(OC(=O)O4)OC(=O)O5
InChi:	InChI=1S/C15H16N2O2.3CH2O3.2Ru/c1-18-14-7-3-12(4-8-14)16-11-17-13-5-9-15(19-2)10-6-13
Definition date:	2023-06-22
Last modified:	2023-07-14
Release date:	2023-07-19

YJT

YJT
Name:	6,8-bis(4-fluorophenyl)-1,5-bis(oxidanyl)-2,4-dioxa-6,8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]octan-3-one
Formula:	C14 H12 F2 N2 O5 Ru2
SMILES:	O[Ru]12OC(=O)O[Ru]1(O)N(CN2c3ccc(F)cc3)c4ccc(F)cc4
InChi:	InChI=1S/C13H10F2N2.CH2O3.2H2O.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13
Definition date:	2023-06-19
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	6,8-bis(4-fluorophenyl)-1,5-bis(oxidanyl)-2,4-dioxa-6,8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]octan-3-one

YMQ

YMQ
Name:	9,11-bis(4-methoxyphenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane
Formula:	C19 H24 N2 O6 Ru2
SMILES:	COc1ccc(cc1)N2CN(c3ccc(OC)cc3)[Ru]45O[CH](C)O[Ru]24O[CH](C)O5
InChi:	InChI=1S/C15H16N2O2.2C2H4O2.2Ru/c1-18-14-7-3-12(4-8-14)16-11-17-13-5-9-15(19-2)10-6-13
Definition date:	2023-06-19
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	9,11-bis(4-methoxyphenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane

ZTV

ZTV
Name:	(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine
Formula:	C21 H26 N6 O2
SMILES:	CC1COCCN1c1cc(nc2nc([NH]c21)c1ccccn1)N1CCOCC1C
InChi:	InChI=1S/C21H26N6O2/c1-14-12-28-9-7-26(14)17-11-18(27-8-10-29-13-15(27)2)23-21-19(17)24-20(25-21)16-5-3-4-6-22-16/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H,23,24,25)/t14-,15+/m1/s1
Definition date:	2023-04-03
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine

ZUO

ZUO
Name:	(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine
Formula:	C19 H25 N7 O2
SMILES:	CC1COCCN1c1cc(nc2[NH]c(nc21)c1cc[NH]n1)N1CCOCC1C
InChi:	InChI=1S/C19H25N7O2/c1-12-10-27-7-5-25(12)15-9-16(26-6-8-28-11-13(26)2)21-19-17(15)22-18(23-19)14-3-4-20-24-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,20,24)(H,21,22,23)/t12-,13+/m1/s1
Definition date:	2023-04-04
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine

YC9

YC9
Name:	[(3R)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid
Formula:	C11 H17 N4 O5 P
SMILES:	O=P(O)(O)CCC(CO)NCc1c[NH]c2c1N=CNC2=O
InChi:	InChI=1S/C11H17N4O5P/c16-5-8(1-2-21(18,19)20)12-3-7-4-13-10-9(7)14-6-15-11(10)17/h4,6,8,12-13,16H,1-3,5H2,(H,14,15,17)(H2,18,19,20)/t8-/m1/s1
Definition date:	2023-01-24
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	[(3R)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid

YCE

YCE
Name:	[(2R)-2-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl]phosphonic acid
Formula:	C10 H15 N4 O5 P
SMILES:	O=P(O)(O)CC(O)CNCc1c[NH]c2c1N=CNC2=O
InChi:	InChI=1S/C10H15N4O5P/c15-7(4-20(17,18)19)3-11-1-6-2-12-9-8(6)13-5-14-10(9)16/h2,5,7,11-12,15H,1,3-4H2,(H,13,14,16)(H2,17,18,19)/t7-/m1/s1
Definition date:	2023-01-24
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	[(2R)-2-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl]phosphonic acid

K9E

K9E
Name:	[4-[[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
Formula:	C12 H19 N2 O8 P
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(C=NC(CO)(CO)CO)c1O
InChi:	InChI=1S/C12H19N2O8P/c1-8-11(18)10(3-14-12(5-15,6-16)7-17)9(2-13-8)4-22-23(19,20)21/h2-3,15-18H,4-7H2,1H3,(H2,19,20,21)/b14-3+
Definition date:	2022-09-13
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	[4-[(~{E})-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]iminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate

OSR

OSR
Name:	(6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide
Formula:	C31 H35 Br N4 O4
SMILES:	CC[CH](C)[CH]1N2[CH](CN(Cc3ccc(OC)c4ccccc34)C1=O)N(CCC2=O)C(=O)NCc5ccc(Br)cc5
InChi:	InChI=1S/C31H35BrN4O4/c1-4-20(2)29-30(38)34(18-22-11-14-26(40-3)25-8-6-5-7-24(22)25)19-27-35(16-15-28(37)36(27)29)31(39)33-17-21-9-12-23(32)13-10-21/h5-14,20,27,29H,4,15-19H2,1-3H3,(H,33,39)/t20-,27+,29-/m0/s1
Definition date:	2023-02-10
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	(6~{S},9~{a}~{S})-~{N}-[(4-bromophenyl)methyl]-6-[(2~{S})-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide

RTO

RTO
Name:	4-(dipropylsulfamoyl)benzoic acid
Formula:	C13 H19 N O4 S
SMILES:	CCCN(CCC)[S](=O)(=O)c1ccc(cc1)C(O)=O
InChi:	InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
Definition date:	2022-12-06
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	4-(dipropylsulfamoyl)benzoic acid

VP9

VP9
Name:	4-azanyl-2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-7-methoxy-isoindole-1,3-dione
Formula:	C14 H13 N3 O5
SMILES:	COc1ccc(N)c2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c12
InChi:	InChI=1S/C14H13N3O5/c1-22-8-4-2-6(15)10-11(8)14(21)17(13(10)20)7-3-5-9(18)16-12(7)19/h2,4,7H,3,5,15H2,1H3,(H,16,18,19)/t7-/m0/s1
Definition date:	2023-03-24
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	4-azanyl-2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-7-methoxy-isoindole-1,3-dione

UXU

UXU
Name:	(4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol
Formula:	C14 H10 F4 O3 S2
SMILES:	C[S](=O)(=O)c1sc(c2CC(F)(F)[CH](O)c12)c3cc(F)cc(F)c3
InChi:	InChI=1S/C14H10F4O3S2/c1-23(20,21)13-10-9(5-14(17,18)12(10)19)11(22-13)6-2-7(15)4-8(16)3-6/h2-4,12,19H,5H2,1H3/t12-/m0/s1
Definition date:	2023-02-15
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	(4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol

UY3

UY3
Name:	(4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol
Formula:	C15 H12 F4 O3 S2
SMILES:	C[S](=O)(=O)c1sc(c2CCC(F)(F)[CH](O)c12)c3cc(F)cc(F)c3
InChi:	InChI=1S/C15H12F4O3S2/c1-24(21,22)14-11-10(2-3-15(18,19)13(11)20)12(23-14)7-4-8(16)6-9(17)5-7/h4-6,13,20H,2-3H2,1H3/t13-/m0/s1
Definition date:	2023-02-15
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	(4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol

UYF

UYF
Name:	(4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol
Formula:	C14 H18 F2 O4 S2
SMILES:	C[S](=O)(=O)c1sc(OC2CCCCC2)c3CC(F)(F)[CH](O)c13
InChi:	InChI=1S/C14H18F2O4S2/c1-22(18,19)13-10-9(7-14(15,16)11(10)17)12(21-13)20-8-5-3-2-4-6-8/h8,11,17H,2-7H2,1H3/t11-/m0/s1
Definition date:	2023-02-15
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	(4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol

IJC

IJC
Name:	2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid
Formula:	C13 H11 Cl N4 O6 S
SMILES:	COc1cc(Cl)nc(NC(=O)N[S](=O)(=O)c2ccccc2C(O)=O)n1
InChi:	InChI=1S/C13H11ClN4O6S/c1-24-10-6-9(14)15-12(16-10)17-13(21)18-25(22,23)8-5-3-2-4-7(8)11(19)20/h2-6H,1H3,(H,19,20)(H2,15,16,17,18,21)
Definition date:	2022-07-05
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid

XY6

XY6
Name:	2,3-di-O-sulfo-beta-D-xylopyranose
Formula:	C5 H10 O11 S2
SMILES:	OC1OCC(O)C(OS(=O)(=O)O)C1OS(=O)(=O)O
InChi:	InChI=1S/C5H10O11S2/c6-2-1-14-5(7)4(16-18(11,12)13)3(2)15-17(8,9)10/h2-7H,1H2,(H,8,9,10)(H,11,12,13)/t2-,3+,4-,5-/m1/s1
Definition date:	2022-08-09
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	2,3-di-O-sulfo-beta-D-xylopyranose

YGI

YGI
Name:	{[(4S)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetic acid
Formula:	C11 H10 N4 O2 S2
SMILES:	O=C(O)CSc1nnc2n1cnc1sc(C)c(C)c21
InChi:	InChI=1S/C11H10N4O2S2/c1-5-6(2)19-10-8(5)9-13-14-11(15(9)4-12-10)18-3-7(16)17/h4H,3H2,1-2H3,(H,16,17)
Definition date:	2023-06-14
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	{[(4S)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetic acid

YW6

YW6
Name:	2-(furan-3-yl)ethanoic acid
Formula:	C6 H6 O3
SMILES:	OC(=O)Cc1cocc1
InChi:	InChI=1S/C6H6O3/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)
Definition date:	2023-06-21
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	2-(furan-3-yl)ethanoic acid

ZKK

ZKK
Name:	(2S)-Methylsuccinyl-CoA
Formula:	C26 H42 N7 O19 P3 S
SMILES:	C[CH](CC(O)=O)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C26H42N7O19P3S/c1-13(8-16(35)36)25(40)56-7-6-28-15(34)4-5-29-23(39)20(38)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(37)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,37-38H,4-10H2,1-3H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13-,14+,18+,19+,20-,24+/m0/s1
Synonyms:	(3S)-4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxidanylidene-butanoic acid
Definition date:	2023-06-28
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(3~{S})-4-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxidanylidene-butanoic acid

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