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PDB Info pages Status search Chemie search: 44216 results BIRD

ZW0

ZW0
Name:	6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-(3-sulfopropyl)-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid
Formula:	C23 H31 N5 O7 S
SMILES:	OC(=O)c1cccc(CN2CCN(CCC[S](O)(=O)=O)CCN(CC2)Cc3cccc(n3)C(O)=O)n1
InChi:	InChI=1S/C23H31N5O7S/c29-22(30)20-6-1-4-18(24-20)16-27-11-9-26(8-3-15-36(33,34)35)10-12-28(14-13-27)17-19-5-2-7-21(25-19)23(31)32/h1-2,4-7H,3,8-17H2,(H,29,30)(H,31,32)(H,33,34,35)
Definition date:	2023-07-05
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-(3-sulfopropyl)-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid

YSX

YSX
Name:	7-[(1~{S})-1-[3-(3-azanylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid
Formula:	C25 H27 F N4 O6 S
SMILES:	C[CH](N1C(=O)CN(CCCN)C1=O)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4
InChi:	InChI=1S/C25H27FN4O6S/c1-14(30-20(31)12-29(25(30)34)10-4-9-27)17-5-3-6-18-21(23(24(32)33)28-22(17)18)15-7-8-16(19(26)11-15)13-37(2,35)36/h3,5-8,11,14,28H,4,9-10,12-13,27H2,1-2H3,(H,32,33)/t14-/m0/s1
Definition date:	2023-06-20
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	7-[(1~{S})-1-[3-(3-azanylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid

A1L1V

A1L1V
Name:	(2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
Formula:	C22 H32 O3
SMILES:	C[CH]1CC[C]2(CC1)CCc3ccc(C)c([CH](OC(C)(C)C)C(O)=O)c23
InChi:	InChI=1S/C22H32O3/c1-14-8-11-22(12-9-14)13-10-16-7-6-15(2)17(18(16)22)19(20(23)24)25-21(3,4)5/h6-7,14,19H,8-13H2,1-5H3,(H,23,24)/t14-,19?,22-
Definition date:	2024-05-21
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	(2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid

A1L1W

A1L1W
Name:	(2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
Formula:	C30 H45 N O4
SMILES:	C[CH]1CC[C]2(CC1)CCc3c(cc(C)c([CH](OC(C)(C)C)C(O)=O)c23)C(=O)NC4CCCCCC4
InChi:	InChI=1S/C30H45NO4/c1-19-12-15-30(16-13-19)17-14-22-23(27(32)31-21-10-8-6-7-9-11-21)18-20(2)24(25(22)30)26(28(33)34)35-29(3,4)5/h18-19,21,26H,6-17H2,1-5H3,(H,31,32)(H,33,34)/t19-,26?,30-
Definition date:	2024-05-21
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	(2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid

A1LXA

A1LXA
Name:	L-2-keto-3-deoxyfuconate
Formula:	C6 H10 O5
SMILES:	C[CH]1O[C](O)(C[CH]1O)C(O)=O
InChi:	InChI=1S/C6H10O5/c1-3-4(7)2-6(10,11-3)5(8)9/h3-4,7,10H,2H2,1H3,(H,8,9)/t3-,4-,6-/m0/s1
Synonyms:	(2~{S},4~{S},5~{S})-5-methyl-2,4-bis(oxidanyl)oxolane-2-carboxylic acid
Definition date:	2024-01-31
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	(2~{S},4~{S},5~{S})-5-methyl-2,4-bis(oxidanyl)oxolane-2-carboxylic acid

JCV

JCV
Name:	[(2~{S},7~{R},11~{R},15~{S},19~{S},22~{S},26~{S},30~{R},34~{R},39~{S},43~{R},47~{R},51~{S},55~{S},58~{S},62~{S},66~{R},70~{R})-39-[[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methyl [(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] hydrogen phosphate
Formula:	C98 H193 O19 P
SMILES:	C[CH]1CCC[CH](C)CCC[CH](C)CC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P](O)(=O)O[CH]2[CH](O)[CH](O)[CH](O)[CH](O)[CH]2O)OCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCO[CH](COCC[CH](C)CCC1)CO[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O
InChi:	InChI=1S/C98H193O19P/c1-70-29-17-33-74(5)41-25-49-82(13)57-61-110-66-86(68-114-98-96(107)90(101)89(100)88(65-99)116-98)112-63-59-84(15)51-27-43-76(7)35-19-31-72(3)39-23-47-80(11)55-56-81(12)48-24-40-73(4)32-20-36-77(8)44-28-52-85(16)60-64-113-87(69-115-118(108,109)117-97-94(105)92(103)91(102)93(104)95(97)106)67-111-62-58-83(14)50-26-42-75(6)34-18-30-71(2)38-22-46-79(10)54-53-78(9)45-21-37-70/h70-107H,17-69H2,1-16H3,(H,108,109)/t70-,71-,72-,73-,74+,75+,76+,77+,78-,79-,80-,81-,82+,83+,84+,85+,86-,87-,88+,89+,90-,91-,92-,93+,94+,95+,96+,97-,98+/m0/s1
Definition date:	2023-08-07
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	[(2~{S},7~{R},11~{R},15~{S},19~{S},22~{S},26~{S},30~{R},34~{R},39~{S},43~{R},47~{R},51~{S},55~{S},58~{S},62~{S},66~{R},70~{R})-39-[[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methyl [(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] hydrogen phosphate

A1APZ

A1APZ
Name:	1'-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-1,3-benzimidazol-2-yl]methyl}-1-(methanesulfonyl)spiro[azetidine-3,3'-indol]-2'(1'H)-one
Formula:	C23 H22 Cl F3 N4 O3 S
SMILES:	FC(F)(F)CCCn1c2ccc(Cl)cc2nc1CN1c2ccccc2C2(CN(C2)S(C)(=O)=O)C1=O
InChi:	InChI=1S/C23H22ClF3N4O3S/c1-35(33,34)29-13-22(14-29)16-5-2-3-6-18(16)31(21(22)32)12-20-28-17-11-15(24)7-8-19(17)30(20)10-4-9-23(25,26)27/h2-3,5-8,11H,4,9-10,12-14H2,1H3
Definition date:	2024-04-26
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	1'-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-1,3-benzimidazol-2-yl]methyl}-1-(methanesulfonyl)spiro[azetidine-3,3'-indol]-2'(1'H)-one

YJU

YJU
Name:	N-{2-[(1r,4r)-4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide
Formula:	C24 H27 F3 N4 O3
SMILES:	FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1C(C)(C)O)C1CCC(CO)CC1
InChi:	InChI=1S/C24H27F3N4O3/c1-23(2,34)17-11-19-15(12-31(30-19)16-8-6-14(13-32)7-9-16)10-20(17)29-22(33)18-4-3-5-21(28-18)24(25,26)27/h3-5,10-12,14,16,32,34H,6-9,13H2,1-2H3,(H,29,33)/t14-,16-
Definition date:	2023-12-04
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	N-{2-[(1r,4r)-4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide

YK0

YK0
Name:	N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide
Formula:	C24 H21 F3 N4 O3
SMILES:	FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1C(C)(C)O)c1ccc(CO)cc1
InChi:	InChI=1S/C24H21F3N4O3/c1-23(2,34)17-11-19-15(12-31(30-19)16-8-6-14(13-32)7-9-16)10-20(17)29-22(33)18-4-3-5-21(28-18)24(25,26)27/h3-12,32,34H,13H2,1-2H3,(H,29,33)
Definition date:	2023-12-04
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide

ZMX

ZMX
Name:	(2M)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
Formula:	C28 H24 N4 O3
SMILES:	CC=1N(C)N(c2ccccc2)C(=O)C=1NC(=O)c1ccccc1c1ncc(o1)c1ccc(C)cc1
InChi:	InChI=1S/C28H24N4O3/c1-18-13-15-20(16-14-18)24-17-29-27(35-24)23-12-8-7-11-22(23)26(33)30-25-19(2)31(3)32(28(25)34)21-9-5-4-6-10-21/h4-17H,1-3H3,(H,30,33)
Definition date:	2023-06-29
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	(2M)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide

Y9T

Y9T
Name:	N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
Formula:	C22 H25 F3 N4 O3
SMILES:	FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1C(C)(C)O)CCC(C)(C)O
InChi:	InChI=1S/C22H25F3N4O3/c1-20(2,31)8-9-29-12-13-10-17(14(21(3,4)32)11-16(13)28-29)27-19(30)15-6-5-7-18(26-15)22(23,24)25/h5-7,10-12,31-32H,8-9H2,1-4H3,(H,27,30)
Definition date:	2023-11-28
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

ZX4

ZX4
Name:	5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine
Formula:	C25 H32 N10 O6 S
SMILES:	O=C(O)C1CC(CCN1CCCc1c[NH]c2N=C(N)NC(=O)c21)SCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C25H32N10O6S/c26-19-16-21(30-9-29-19)35(10-31-16)23-18(37)17(36)14(41-23)8-42-12-3-5-34(13(6-12)24(39)40)4-1-2-11-7-28-20-15(11)22(38)33-25(27)32-20/h7,9-10,12-14,17-18,23,36-37H,1-6,8H2,(H,39,40)(H2,26,29,30)(H4,27,28,32,33,38)/t12-,13-,14-,17-,18-,23-/m1/s1
Definition date:	2023-04-17
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine

A1IBD

A1IBD
Name:	~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide
Formula:	C10 H16 N2 O2 S
SMILES:	C[CH](N)CN[S](=O)(=O)c1ccc(C)cc1
InChi:	InChI=1S/C10H16N2O2S/c1-8-3-5-10(6-4-8)15(13,14)12-7-9(2)11/h3-6,9,12H,7,11H2,1-2H3/t9-/m0/s1
Definition date:	2024-05-10
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide

A1IBE

A1IBE
Name:	~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide
Formula:	C9 H13 F N2 O3 S
SMILES:	NC[CH](O)CN[S](=O)(=O)c1ccccc1F
InChi:	InChI=1S/C9H13FN2O3S/c10-8-3-1-2-4-9(8)16(14,15)12-6-7(13)5-11/h1-4,7,12-13H,5-6,11H2/t7-/m0/s1
Definition date:	2024-05-10
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide

A1IBQ

A1IBQ
Name:	~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide
Formula:	C14 H14 F2 N2 O2 S
SMILES:	N[CH](CN[S](=O)(=O)c1cc(F)cc(F)c1)c2ccccc2
InChi:	InChI=1S/C14H14F2N2O2S/c15-11-6-12(16)8-13(7-11)21(19,20)18-9-14(17)10-4-2-1-3-5-10/h1-8,14,18H,9,17H2/t14-/m1/s1
Definition date:	2024-05-14
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide

W3O

W3O
Name:	1-[3-[~{tert}-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxamide
Formula:	C15 H27 N2 O2 Si
SMILES:	O=C(N)c1ccc[n+](CCCO[Si](C)(C)C(C)(C)C)c1
InChi:	InChI=1S/C15H26N2O2Si/c1-15(2,3)20(4,5)19-11-7-10-17-9-6-8-13(12-17)14(16)18/h6,8-9,12H,7,10-11H2,1-5H3,(H-,16,18)/p+1
Definition date:	2023-09-22
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	1-(3-{[tert-butyl(dimethyl)silyl]oxy}propyl)-3-carbamoylpyridin-1-ium

P8R

P8R
Name:	1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
Formula:	C24 H50 O12
SMILES:	COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChi:	InChI=1S/C24H50O12/c1-25-3-5-27-7-9-29-11-13-31-15-17-33-19-21-35-23-24-36-22-20-34-18-16-32-14-12-30-10-8-28-6-4-26-2/h3-24H2,1-2H3
Definition date:	2023-08-24
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane

W3X

W3X
Name:	1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide
Formula:	C14 H16 N2 O2
SMILES:	NC(=O)C=1CC=CN(CCc2ccc(O)cc2)C=1
InChi:	InChI=1S/C14H16N2O2/c15-14(18)12-2-1-8-16(10-12)9-7-11-3-5-13(17)6-4-11/h1,3-6,8,10,17H,2,7,9H2,(H2,15,18)
Definition date:	2023-09-22
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide

W46

W46
Name:	1-{[4-(hydroxymethyl)phenyl]methyl}-1,4-dihydropyridine-3-carboxamide
Formula:	C14 H16 N2 O2
SMILES:	NC(=O)C=1CC=CN(Cc2ccc(CO)cc2)C=1
InChi:	InChI=1S/C14H16N2O2/c15-14(18)13-2-1-7-16(9-13)8-11-3-5-12(10-17)6-4-11/h1,3-7,9,17H,2,8,10H2,(H2,15,18)
Definition date:	2023-09-22
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	1-{[4-(hydroxymethyl)phenyl]methyl}-1,4-dihydropyridine-3-carboxamide

W4F

W4F
Name:	2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
Formula:	C18 H22 O5
SMILES:	COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O
InChi:	InChI=1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3
Synonyms:	Erianin
Definition date:	2023-09-20
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol

V00

V00
Name:	~{N}-[(3-fluorophenyl)methyl]-1-[(1~{R})-1-(3-methoxynaphthalen-1-yl)ethyl]piperidine-4-carboxamide
Formula:	C26 H29 F N2 O2
SMILES:	COc1cc2ccccc2c(c1)[CH](C)N3CCC(CC3)C(=O)NCc4cccc(F)c4
InChi:	InChI=1S/C26H29FN2O2/c1-18(25-16-23(31-2)15-21-7-3-4-9-24(21)25)29-12-10-20(11-13-29)26(30)28-17-19-6-5-8-22(27)14-19/h3-9,14-16,18,20H,10-13,17H2,1-2H3,(H,28,30)/t18-/m1/s1
Definition date:	2023-06-30
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	~{N}-[(3-fluorophenyl)methyl]-1-[(1~{R})-1-(3-methoxynaphthalen-1-yl)ethyl]piperidine-4-carboxamide

P5R

P5R
Name:	2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Formula:	C34 H70 O18
SMILES:	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChi:	InChI=1S/C34H70O18/c35-1-3-37-5-7-39-9-11-41-13-15-43-17-19-45-21-23-47-25-27-49-29-31-51-33-34-52-32-30-50-28-26-48-24-22-46-20-18-44-16-14-42-12-10-40-8-6-38-4-2-36/h35-36H,1-34H2
Definition date:	2023-08-22
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

G8I

G8I
Name:	(2S)-2-hydroxy-3,3-dimethylbutanoic acid
Formula:	C6 H12 O3
SMILES:	O=C(O)C(O)C(C)(C)C
InChi:	InChI=1S/C6H12O3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)/t4-/m1/s1
Definition date:	2023-07-20
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	(2S)-2-hydroxy-3,3-dimethylbutanoic acid

GHO

GHO
Name:	(1R)-1-hydroxyethane-1-sulfonic acid
Formula:	C2 H6 O4 S
SMILES:	CC(O)S(=O)(=O)O
InChi:	InChI=1S/C2H6O4S/c1-2(3)7(4,5)6/h2-3H,1H3,(H,4,5,6)/t2-/m1/s1
Definition date:	2023-07-20
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	(1R)-1-hydroxyethane-1-sulfonic acid

GIW

GIW
Name:	1,3-dithiane-2-carboxylic acid
Formula:	C5 H8 O2 S2
SMILES:	O=C(O)C1SCCCS1
InChi:	InChI=1S/C5H8O2S2/c6-4(7)5-8-2-1-3-9-5/h5H,1-3H2,(H,6,7)
Definition date:	2023-07-20
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	1,3-dithiane-2-carboxylic acid

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