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6II

6II
Name:	beta-D-glucopyranosyl 1,3,4-trisphosphate
Formula:	C6 H15 O15 P3
SMILES:	OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
InChi:	InChI=1S/C6H15O15P3/c7-1-2-4(19-22(9,10)11)5(20-23(12,13)14)3(8)6(18-2)21-24(15,16)17/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t2-,3-,4-,5-,6+/m1/s1
Synonyms:	[(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5-oxidanyl-3,6-diphosphonooxy-oxan-4-yl] dihydrogen phosphate
Definition date:	2023-07-12
Last modified:	2024-02-23
Release date:	2024-02-28
Identifier:	[(2~{R},3~{R},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-5-oxidanyl-3,6-diphosphonooxy-oxan-4-yl] dihydrogen phosphate

75I

75I
Name:	DL-6-deoxy-6-hydroxy-methyl-scyllo-inositol 1,2,4-trisphosphate
Formula:	C7 H17 O15 P3
SMILES:	OC[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
InChi:	InChI=1S/C7H17O15P3/c8-1-2-3(9)6(21-24(14,15)16)4(10)7(22-25(17,18)19)5(2)20-23(11,12)13/h2-10H,1H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)/t2-,3-,4-,5+,6+,7+/m0/s1
Synonyms:	[(1R,2S,3S,4R,5S,6R)-2-(hydroxymethyl)-3,5-bis(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
Definition date:	2023-07-12
Last modified:	2024-02-23
Release date:	2024-02-28
Identifier:	[(1~{R},2~{S},3~{S},4~{R},5~{S},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate

JSU

JSU
Name:	trichloro((3~{a}~{S},4~{S},6~{a}~{R})-4-[(5~{R})-5-oxidanyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethylamino]pentyl]-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-2-one)rhodium(3+)
Formula:	C21 H32 Cl3 N3 O2 Rh S
SMILES:	[Cl-].[Cl-].[Cl-].[Rh+3].CC1=C(C)C(=C(C)[C-]1CCNC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)C
InChi:	InChI=1S/C21H32N3O2S.3ClH.Rh/c1-12-13(2)15(4)16(14(12)3)9-10-22-19(25)8-6-5-7-18-20-17(11-27-18)23-21(26)24-20
Definition date:	2022-08-26
Last modified:	2024-02-23
Release date:	2024-02-28

7I8

7I8
Name:	DL-6-deoxy-6-phosphoryloxymethyl-scyllo-inositol 1,2,4-trisphosphate
Formula:	C7 H18 O18 P4
SMILES:	O[CH]1[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O
InChi:	InChI=1S/C7H18O18P4/c8-3-2(1-22-26(10,11)12)5(23-27(13,14)15)7(25-29(19,20)21)4(9)6(3)24-28(16,17)18/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)/t2-,3-,4-,5+,6+,7+/m0/s1
Synonyms:	[(1R,2S,3R,4S,5S,6R)-2,4-bis(oxidanyl)-3,6-diphosphonooxy-5-(phosphonooxymethyl)cyclohexyl] dihydrogen phosphate
Definition date:	2023-07-12
Last modified:	2024-02-23
Release date:	2024-02-28
Identifier:	[(1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-2,4-bis(oxidanyl)-3,6-diphosphonooxy-5-(phosphonooxymethyl)cyclohexyl] dihydrogen phosphate

3I2

3I2
Name:	D-3-deoxy-myo-inositol 1,4,6-trisphosphate
Formula:	C6 H15 O14 P3
SMILES:	O[CH]1C[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
InChi:	InChI=1S/C6H15O14P3/c7-2-1-3(18-21(9,10)11)4(8)6(20-23(15,16)17)5(2)19-22(12,13)14/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t2-,3-,4+,5-,6-/m1/s1
Synonyms:	[(1R,2S,3R,4R,5R)-2,5-bis(oxidanyl)-3,4-diphosphonooxy-cyclohexyl] dihydrogen phosphate
Definition date:	2023-07-12
Last modified:	2024-02-23
Release date:	2024-02-28
Identifier:	[(1~{R},2~{S},3~{R},4~{R},5~{R})-2,5-bis(oxidanyl)-3,4-diphosphonooxy-cyclohexyl] dihydrogen phosphate

3IA

3IA
Name:	L-scyllo-inositol 1,2,4-trisphosphate
Formula:	C6 H15 O15 P3
SMILES:	O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O
InChi:	InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3-,4+,5+,6+/m0/s1
Synonyms:	[(1R,2S,3S,4R,5S,6R)-2,3,5-tris(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
Definition date:	2023-07-12
Last modified:	2024-02-23
Release date:	2024-02-28
Identifier:	[(1~{R},2~{S},3~{S},4~{R},5~{S},6~{R})-2,3,5-tris(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate

OY7

OY7
Name:	(4-ethanoylphenyl)boronic acid
Formula:	C8 H9 B O3
SMILES:	CC(=O)c1ccc(cc1)B(O)O
InChi:	InChI=1S/C8H9BO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5,11-12H,1H3
Synonyms:	4-Acetylphenylboronic acid
Definition date:	2023-02-24
Last modified:	2024-02-23
Release date:	2024-02-28
Identifier:	(4-ethanoylphenyl)boronic acid

P1X

P1X
Name:	2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid
Formula:	C19 H18 Cl N5 O4
SMILES:	OC(=O)CNC(=O)c1ncc(cc1O)c2cn(CCCc3ccc(Cl)cc3)nn2
InChi:	InChI=1S/C19H18ClN5O4/c20-14-5-3-12(4-6-14)2-1-7-25-11-15(23-24-25)13-8-16(26)18(21-9-13)19(29)22-10-17(27)28/h3-6,8-9,11,26H,1-2,7,10H2,(H,22,29)(H,27,28)
Synonyms:	(5-(1-(3-(4-chlorophenyl)propyl)-1H-1,2,3-triazol-4-yl)-3-hydroxypicolinoyl)glycine
Definition date:	2023-02-28
Last modified:	2024-02-23
Release date:	2024-02-28
Identifier:	2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid

P5I

P5I
Name:	2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid
Formula:	C17 H12 Cl N3 O5
SMILES:	OC(=O)CNC(=O)c1ncc(cc1O)c2onc(c2)c3cccc(Cl)c3
InChi:	InChI=1S/C17H12ClN3O5/c18-11-3-1-2-9(4-11)12-6-14(26-21-12)10-5-13(22)16(19-7-10)17(25)20-8-15(23)24/h1-7,22H,8H2,(H,20,25)(H,23,24)
Synonyms:	(5-(3-(3-chlorophenyl)isoxazol-5-yl)-3-hydroxypicolinoyl)glycine
Definition date:	2023-02-28
Last modified:	2024-02-23
Release date:	2024-02-28
Identifier:	2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid

06G

06G
Name:	D-myo-inositol 1,4,6-trisphosphate
Formula:	C6 H15 O15 P3
SMILES:	O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O
InChi:	InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3-,4+,5+,6+/m0/s1
Synonyms:	[(1R,2R,3S,4R,5S,6R)-2,3,5-tris(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
Definition date:	2023-07-10
Last modified:	2024-02-23
Release date:	2024-02-28
Identifier:	[(1~{R},2~{R},3~{S},4~{R},5~{S},6~{R})-2,3,5-tris(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate

EZX

EZX
Name:	1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one
Formula:	C23 H24 F N3 O
SMILES:	Fc1ccc(cc1)C(=O)CCCN2CCN3[CH](C2)Cc4c[nH]c5cccc3c45
InChi:	InChI=1S/C23H24FN3O/c24-18-8-6-16(7-9-18)22(28)5-2-10-26-11-12-27-19(15-26)13-17-14-25-20-3-1-4-21(27)23(17)20/h1,3-4,6-9,14,19,25H,2,5,10-13,15H2/t19-/m1/s1
Definition date:	2023-06-27
Last modified:	2024-02-23
Release date:	2024-02-28

U7C

U7C
Name:	5-(1~{H}-indol-3-yl)-1,2-oxazole-3-carboxylic acid
Formula:	C12 H8 N2 O3
SMILES:	OC(=O)c1cc(on1)c2c[nH]c3ccccc23
InChi:	InChI=1S/C12H8N2O3/c15-12(16)10-5-11(17-14-10)8-6-13-9-4-2-1-3-7(8)9/h1-6,13H,(H,15,16)
Definition date:	2023-05-21
Last modified:	2024-02-23
Release date:	2024-02-28
Identifier:	5-(1~{H}-indol-3-yl)-1,2-oxazole-3-carboxylic acid

U7L

U7L
Name:	4-(hydroxymethyl)-5-(1-methylindol-3-yl)-1,2-oxazole-3-carboxylic acid
Formula:	C14 H12 N2 O4
SMILES:	Cn1cc(c2onc(C(O)=O)c2CO)c3ccccc13
InChi:	InChI=1S/C14H12N2O4/c1-16-6-9(8-4-2-3-5-11(8)16)13-10(7-17)12(14(18)19)15-20-13/h2-6,17H,7H2,1H3,(H,18,19)
Definition date:	2023-05-21
Last modified:	2024-02-23
Release date:	2024-02-28
Identifier:	4-(hydroxymethyl)-5-(1-methylindol-3-yl)-1,2-oxazole-3-carboxylic acid

UIX

UIX
Name:	[(1~{S},5~{R})-3,3,5-trimethyl-5-oxidanyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{S},4~{S},6~{R})-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]cyclohexyl] ethanoate
Formula:	C42 H58 O5
SMILES:	CC(=O)O[CH]1CC(C)(C)[C](=[C]=[CH]C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[C]23O[C]2(C)C[CH](O)CC3(C)C)[C](C)(O)C1
InChi:	InChI=1S/C42H58O5/c1-30(18-14-20-32(3)22-23-37-38(6,7)28-36(46-34(5)43)29-40(37,10)45)16-12-13-17-31(2)19-15-21-33(4)24-25-42-39(8,9)26-35(44)27-41(42,11)47-42/h12-22,24-25,35-36,44-45H,26-29H2,1-11H3/b13-12+,18-14+,19-15+,25-24+,30-16+,31-17+,32-20+,33-21+/t23-,35-,36-,40+,41+,42-/m0/s1
Synonyms:	Dinoxanthin
Definition date:	2023-06-06
Last modified:	2024-02-23
Release date:	2024-02-28
Identifier:	[(1~{S},5~{R})-3,3,5-trimethyl-5-oxidanyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{S},4~{S},6~{R})-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]cyclohexyl] ethanoate

UJO

UJO
Name:	~{N}-[(~{Z},2~{S},3~{R})-1,3-bis(oxidanyl)heptadec-4-en-2-yl]dodecanamide
Formula:	C29 H57 N O3
SMILES:	CCCCCCCCCCCCC=C[CH](O)[CH](CO)NC(=O)CCCCCCCCCCC
InChi:	InChI=1S/C29H57NO3/c1-3-5-7-9-11-13-14-15-17-18-20-22-24-28(32)27(26-31)30-29(33)25-23-21-19-16-12-10-8-6-4-2/h22,24,27-28,31-32H,3-21,23,25-26H2,1-2H3,(H,30,33)/b24-22-/t27-,28+/m0/s1
Definition date:	2023-09-08
Last modified:	2024-02-23
Release date:	2024-02-28
Identifier:	~{N}-[(~{Z},2~{S},3~{R})-1,3-bis(oxidanyl)heptadec-4-en-2-yl]dodecanamide

UQ3

UQ3
Name:	S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2R)-2-hydroxypropanethioate
Formula:	C24 H40 N7 O18 P3 S
SMILES:	CC(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
InChi:	InChI=1S/C24H40N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,32,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,36)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t12-,13-,16-,17-,18+,22-/m1/s1
Synonyms:	Lactyl-CoA
Definition date:	2022-08-23
Last modified:	2024-02-23
Release date:	2024-02-28
Identifier:	S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2R)-2-hydroxypropanethioate (non-preferred name)

UZ3

UZ3
Name:	2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide
Formula:	C15 H13 Cl2 N3 O3
SMILES:	COc1ccc(C(N)=O)c(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChi:	InChI=1S/C15H13Cl2N3O3/c1-23-11-2-3-12(14(18)21)13(7-11)20-15(22)19-10-5-8(16)4-9(17)6-10/h2-7H,1H3,(H2,18,21)(H2,19,20,22)
Definition date:	2023-02-15
Last modified:	2024-02-23
Release date:	2024-02-28
Identifier:	2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide

6VO

6VO
Name:	(3~{R},4~{S})-4-azanyl-2,6-dimethyl-heptane-2,3-diol
Formula:	C9 H21 N O2
SMILES:	CC(C)C[CH](N)[CH](O)C(C)(C)O
InChi:	InChI=1S/C9H21NO2/c1-6(2)5-7(10)8(11)9(3,4)12/h6-8,11-12H,5,10H2,1-4H3/t7-,8+/m0/s1
Definition date:	2016-07-07
Last modified:	2024-02-22
Release date:	2016-08-17
Identifier:	(3~{R},4~{S})-4-azanyl-2,6-dimethyl-heptane-2,3-diol

M7G

M7G
Name:	7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE
Formula:	C11 H18 N5 O11 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC1OC(n2c[n+](C)c3c2N=C(N)NC3=O)C(O)C1O
InChi:	InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-02-21
Identifier:	7-methylguanosine 5'-(trihydrogen diphosphate)

PHZ

PHZ
Name:	1-PHENYLHYDRAZINE
Formula:	C6 H8 N2
SMILES:	NNc1ccccc1
InChi:	InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
Synonyms:	phenyldiazane
Definition date:	2005-07-29
Last modified:	2024-02-21
Identifier:	phenylhydrazine

X1J

X1J
Name:	1-(5-amino-1,3-dihydro-2H-isoindol-2-yl)ethan-1-one
Formula:	C10 H12 N2 O
SMILES:	c2c1c(CN(C1)C(=O)C)ccc2N
InChi:	InChI=1S/C10H12N2O/c1-7(13)12-5-8-2-3-10(11)4-9(8)6-12/h2-4H,5-6,11H2,1H3
Definition date:	2020-11-20
Last modified:	2024-02-20
Release date:	2021-06-30
Identifier:	1-(5-amino-1,3-dihydro-2H-isoindol-2-yl)ethan-1-one

9RN

9RN
Name:	3,6-anhydro-alpha-D-galactopyranose
Formula:	C6 H10 O5
SMILES:	OC1OC2COC(C2O)C1O
InChi:	InChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m1/s1
Definition date:	2017-07-03
Last modified:	2024-02-19
Release date:	2017-10-18
Identifier:	3,6-anhydro-alpha-D-galactopyranose

YNW

YNW
Name:	(6M)-2-(benzylamino)-6-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
Formula:	C22 H18 Cl N3 O2
SMILES:	O=C(O)c1cc(cc2[NH]c(nc12)NCc1ccccc1)c1ccc(C)cc1Cl
InChi:	InChI=1S/C22H18ClN3O2/c1-13-7-8-16(18(23)9-13)15-10-17(21(27)28)20-19(11-15)25-22(26-20)24-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,27,28)(H2,24,25,26)
Definition date:	2023-02-13
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(6M)-2-(benzylamino)-6-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid

YO6

YO6
Name:	[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
Formula:	C11 H9 F N2 O2 S
SMILES:	O=C(O)Cc1csc(Nc2ccc(F)cc2)n1
InChi:	InChI=1S/C11H9FN2O2S/c12-7-1-3-8(4-2-7)13-11-14-9(6-17-11)5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16)
Definition date:	2023-02-13
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid

YOB

YOB
Name:	(8S)-2-({[2-chloro-5-(pyridin-4-yl)phenyl]methyl}amino)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Formula:	C20 H19 Cl N6 O
SMILES:	Clc1ccc(cc1CNc1nc2NC(=CC(=O)n2n1)CCC)c1ccncc1
InChi:	InChI=1S/C20H19ClN6O/c1-2-3-16-11-18(28)27-20(24-16)25-19(26-27)23-12-15-10-14(4-5-17(15)21)13-6-8-22-9-7-13/h4-11H,2-3,12H2,1H3,(H2,23,24,25,26)
Definition date:	2023-02-13
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(8S)-2-({[2-chloro-5-(pyridin-4-yl)phenyl]methyl}amino)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one

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