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GS8
GS8
Name:S-Hydroxy-Glutathione
Formula:C10 H17 N3 O7 S
SMILES:O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CSO
InChi:InChI=1S/C10H17N3O7S/c11-5(10(18)19)1-2-7(14)13-6(4-21-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
Definition date:2013-12-04
Last modified:2014-12-12
Release date:2014-12-17
Identifier:L-gamma-glutamyl-S-hydroxy-L-cysteinylglycine
CSW
CSW
Name:CYSTEINE-S-DIOXIDE
Formula:C3 H7 N O4 S
SMILES:O=C(O)C(N)CS(=O)O
InChi:InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1
Synonyms:CYSTEINE SULFINIC ACID
Definition date:1999-07-08
Last modified:2014-11-19
Identifier:3-sulfino-L-alanine
48T
48T
Name:L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine
Formula:C24 H27 N3 O7 S
SMILES:O=C(c2ccc(c1ccccc1)cc2)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
InChi:InChI=1S/C24H27N3O7S/c25-18(24(33)34)10-11-21(29)27-19(23(32)26-12-22(30)31)13-35-14-20(28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18-19H,10-14,25H2,(H,26,32)(H,27,29)(H,30,31)(H,33,34)/t18-,19-/m0/s1
Definition date:2012-02-29
Last modified:2014-09-05
Release date:2013-02-01
Identifier:L-gamma-glutamyl-S-[2-(biphenyl-4-yl)-2-oxoethyl]-L-cysteinylglycine
M2W
M2W
Name:DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-O-METHYL-D-THREONINE
Formula:C14 H25 N3 O7 S
SMILES:O=C(NC(C(=O)O)C(OC)C)C(NC(=O)CCCC(C(=O)O)N)CS
InChi:InChI=1S/C14H25N3O7S/c1-7(24-2)11(14(22)23)17-12(19)9(6-25)16-10(18)5-3-4-8(15)13(20)21/h7-9,11,25H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t7-,8-,9-,11+/m0/s1
Definition date:2011-02-03
Last modified:2014-09-05
Identifier:N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-O-methyl-D-threonine
6YT
6YT
Name:N-(3-hydroxypicolinoyl)-S-(pyridin-2-ylmethyl)-L-cysteine
Formula:C15 H15 N3 O4 S
SMILES:O=C(c1ncccc1O)NC(C(=O)O)CSCc2ncccc2
InChi:InChI=1S/C15H15N3O4S/c19-12-5-3-7-17-13(12)14(20)18-11(15(21)22)9-23-8-10-4-1-2-6-16-10/h1-7,11,19H,8-9H2,(H,18,20)(H,21,22)/t11-/m0/s1
Definition date:2013-10-01
Last modified:2014-09-05
Release date:2014-05-14
Identifier:N-[(3-hydroxypyridin-2-yl)carbonyl]-S-(pyridin-2-ylmethyl)-L-cysteine
X0D
X0D
Name:(R)-2-(3-(3-((2,4-DIFLUOROPENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)-3-(ISOBUTYLTHIO) PROPANOIC ACID
Formula:C26 H28 F2 N2 O4 S
SMILES:Fc2cc(F)ccc2C#Cc1cccc(C(=O)N(C(=O)NC(C(=O)O)CSCC(C)C)CCC)c1
InChi:InChI=1S/C26H28F2N2O4S/c1-4-12-30(26(34)29-23(25(32)33)16-35-15-17(2)3)24(31)20-7-5-6-18(13-20)8-9-19-10-11-21(27)14-22(19)28/h5-7,10-11,13-14,17,23H,4,12,15-16H2,1-3H3,(H,29,34)(H,32,33)/t23-/m0/s1
Definition date:2013-09-10
Last modified:2014-09-05
Release date:2014-02-05
Identifier:N-[{3-[(2,4-difluorophenyl)ethynyl]benzoyl}(propyl)carbamoyl]-S-(2-methylpropyl)-L-cysteine
X0R
X0R
Name:(R)-3-(4-BROMOBENZYLTHIO)-2-(3-(3-((2,4-DIFLUOROPHENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)PROPANOIC ACID
Formula:C29 H25 Br F2 N2 O4 S
SMILES:Brc1ccc(cc1)CSCC(C(=O)O)NC(=O)N(C(=O)c3cccc(C#Cc2ccc(F)cc2F)c3)CCC
InChi:InChI=1S/C29H25BrF2N2O4S/c1-2-14-34(29(38)33-26(28(36)37)18-39-17-20-7-11-23(30)12-8-20)27(35)22-5-3-4-19(15-22)6-9-21-10-13-24(31)16-25(21)32/h3-5,7-8,10-13,15-16,26H,2,14,17-18H2,1H3,(H,33,38)(H,36,37)/t26-/m0/s1
Definition date:2013-09-11
Last modified:2014-09-05
Release date:2014-02-05
Identifier:S-(4-bromobenzyl)-N-[{3-[(2,4-difluorophenyl)ethynyl]benzoyl}(propyl)carbamoyl]-L-cysteine
URU
URU
Name:((2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-(2- ((((2R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)- 3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)-4- hydroxytetrahydrofuran-2-yl)methyl phosphate
Formula:C20 H26 N5 O14 P
SMILES:O=P(O)(O)OCC2OC(N1C=CC(=O)NC1=O)C(O)C2CC(=O)NCC4OC(N3C(=O)NC(=O)C=C3)C(O)C4O
InChi:InChI=1S/C20H26N5O14P/c26-11-1-3-24(19(32)22-11)17-14(29)8(10(39-17)7-37-40(34,35)36)5-13(28)21-6-9-15(30)16(31)18(38-9)25-4-2-12(27)23-20(25)33/h1-4,8-10,14-18,29-31H,5-7H2,(H,21,28)(H,22,26,32)(H,23,27,33)(H2,34,35,36)/t8-,9-,10-,14-,15-,16-,17-,18-/m1/s1
Definition date:2014-01-07
Last modified:2014-07-03
Release date:2014-07-08
Identifier:{(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-[2-({[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}amino)-2-oxoethyl]-4-hydroxytetrahydrofuran-2-yl}methyl dihydrogen phosphate (non-preferred name)
L2E
L2E
Name:(2S)-2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one
Formula:C25 H28 O6
SMILES:O=C2c3c(O)c(c(O)cc3OC(c1ccc(O)c(O)c1)C2)CC=C(/C)CCC=C(/C)C
InChi:InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-17-19(27)12-23-24(25(17)30)21(29)13-22(31-23)16-8-10-18(26)20(28)11-16/h5,7-8,10-12,22,26-28,30H,4,6,9,13H2,1-3H3/b15-7+/t22-/m0/s1
Definition date:2013-06-13
Last modified:2014-05-09
Release date:2014-05-14
Identifier:(2S)-2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one
CSE
CSE
Name:SELENOCYSTEINE
Formula:C3 H7 N O2 Se
SMILES:O=C(O)C(N)C[SeH]
InChi:InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
Definition date:1999-07-08
Last modified:2014-05-06
Identifier:3-selanyl-L-alanine
RVN
RVN
Name:5-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid
Formula:C17 H11 N O5
SMILES:O=C2Nc1ccccc1/C2=Cc3ccc4OCOc4c3C(=O)O
InChi:InChI=1S/C17H11NO5/c19-16-11(10-3-1-2-4-12(10)18-16)7-9-5-6-13-15(23-8-22-13)14(9)17(20)21/h1-7H,8H2,(H,18,19)(H,20,21)/b11-7+
Definition date:2013-12-20
Last modified:2014-04-15
Release date:2014-01-08
Identifier:5-[(E)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid
1JO
1JO
Name:D-gamma-glutamyl-S-(4-phenylbutyl)-L-cysteinylglycine
Formula:C20 H29 N3 O6 S
SMILES:O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSCCCCc1ccccc1
InChi:InChI=1S/C20H29N3O6S/c21-15(20(28)29)9-10-17(24)23-16(19(27)22-12-18(25)26)13-30-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13,21H2,(H,22,27)(H,23,24)(H,25,26)(H,28,29)/t15-,16+/m1/s1
Definition date:2013-02-19
Last modified:2013-12-27
Release date:2014-01-01
Identifier:D-gamma-glutamyl-S-(4-phenylbutyl)-L-cysteinylglycine
1JP
1JP
Name:D-gamma-glutamyl-(Z)-N-(carboxymethylidene)-S-[(2R)-2-hydroxy-4-phenylbutyl]-L-cysteinamide
Formula:C20 H27 N3 O7 S
SMILES:O=C(O)C(N)CCC(=O)NC(C(=O)/N=CC(=O)O)CSCC(O)CCc1ccccc1
InChi:InChI=1S/C20H27N3O7S/c21-15(20(29)30)8-9-17(25)23-16(19(28)22-10-18(26)27)12-31-11-14(24)7-6-13-4-2-1-3-5-13/h1-5,10,14-16,24H,6-9,11-12,21H2,(H,23,25)(H,26,27)(H,29,30)/b22-10-/t14-,15-,16+/m1/s1
Definition date:2013-02-19
Last modified:2013-12-27
Release date:2014-01-01
Identifier:D-gamma-glutamyl-(Z)-N-(carboxymethylidene)-S-[(2R)-2-hydroxy-4-phenylbutyl]-L-cysteinamide
KGT
KGT
Name:N-(4-carboxy-4-oxobutanoyl)-L-cysteinylglycine
Formula:C10 H14 N2 O7 S
SMILES:O=C(NCC(=O)O)C(NC(=O)CCC(=O)C(=O)O)CS
InChi:InChI=1S/C10H14N2O7S/c13-6(10(18)19)1-2-7(14)12-5(4-20)9(17)11-3-8(15)16/h5,20H,1-4H2,(H,11,17)(H,12,14)(H,15,16)(H,18,19)/t5-/m0/s1
Definition date:2012-10-18
Last modified:2013-07-26
Release date:2013-07-31
Identifier:N-(4-carboxy-4-oxobutanoyl)-L-cysteinylglycine
1RL
1RL
Name:Benzoxazinorifamycin-2b
Formula:C49 H61 N3 O13
SMILES:O=C6c5c1OC6(OC=CC(OC)C(C)C(OC(=O)C)C(C)C(O)C(C)C(O)C(C=CC=C(C(=O)NC=2C(=O)c(c(O)c1C)c5C3=Nc4c(OC=23)cccc4OCCN(CC)CC)C)C)C
InChi:InChI=1S/C49H61N3O13/c1-12-52(13-2)21-23-61-32-18-15-19-33-37(32)50-38-34-35-42(56)29(8)45-36(34)47(58)49(10,65-45)62-22-20-31(60-11)26(5)44(63-30(9)53)28(7)41(55)27(6)40(54)24(3)16-14-17-25(4)48(59)51-39(43(35)57)46(38)64-33/h14-20,22,24,26-28,31,40-41,44,54-56H,12-13,21,23H2,1-11H3,(H,51,59)/b16-14?,22-20+,25-17-/t24-,26+,27+,28+,31-,40-,41+,44+,49-/m0/s1
Definition date:2013-05-09
Last modified:2013-05-17
Release date:2013-05-22
Identifier:(2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-12-[2-(diethylamino)ethoxy]-5,21,23-trihydroxy-27-methoxy-2,4,16,20,22,24,26-heptamethyl-1,6,15-trioxo-1,2-dihydro-6H-2,7-(epoxypentadeca[1,11,13]trienoimino)[1]benzofuro[4,5-a]phenoxazin-25-yl acetate
1E2
1E2
Name:(2S)-3-(acetyloxy)-2-hydroxypropyl 6-deoxy-6-sulfo-beta-D-glucopyranoside
Formula:C11 H20 O11 S
SMILES:O=S(=O)(O)CC1OC(OCC(O)COC(=O)C)C(O)C(O)C1O
InChi:InChI=1S/C11H20O11S/c1-5(12)20-2-6(13)3-21-11-10(16)9(15)8(14)7(22-11)4-23(17,18)19/h6-11,13-16H,2-4H2,1H3,(H,17,18,19)/t6-,7-,8-,9+,10-,11-/m1/s1
Definition date:2012-12-18
Last modified:2013-04-12
Release date:2013-04-17
Identifier:(2S)-3-(acetyloxy)-2-hydroxypropyl 6-deoxy-6-sulfo-beta-D-glucopyranoside
WT4
WT4
Name:N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-S-methyl-D-cysteine
Formula:C14 H25 N3 O6 S2
SMILES:O=C(NC(C(=O)O)CSC)C(NC(=O)CCCC(C(=O)O)N)CCS
InChi:InChI=1S/C14H25N3O6S2/c1-25-7-10(14(22)23)17-12(19)9(5-6-24)16-11(18)4-2-3-8(15)13(20)21/h8-10,24H,2-7,15H2,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9-,10+/m0/s1
Definition date:2013-01-25
Last modified:2013-03-15
Release date:2013-03-20
Identifier:N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-S-methyl-D-cysteine
0VP
0VP
Name:3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol
Formula:C31 H40 O4
SMILES:O(c1cc(c(cc1)CC)c2ccc(cc2CCC)C(O)(CC)CC)Cc3ccc(c(c3)CO)CO
InChi:InChI=1S/C31H40O4/c1-5-9-24-17-27(31(34,7-3)8-4)13-15-29(24)30-18-28(14-12-23(30)6-2)35-21-22-10-11-25(19-32)26(16-22)20-33/h10-18,32-34H,5-9,19-21H2,1-4H3
Definition date:2012-07-13
Last modified:2012-09-21
Release date:2012-09-21
Identifier:3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol
0VS
0VS
Name:L-gamma-glutamyl-S-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-L-cysteinylglycine
Formula:C21 H23 N3 O8 S
SMILES:O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC2=C(C(=O)c1c(cccc1)C2=O)C
InChi:InChI=1S/C21H23N3O8S/c1-10-17(28)11-4-2-3-5-12(11)18(29)19(10)33-9-14(20(30)23-8-16(26)27)24-15(25)7-6-13(22)21(31)32/h2-5,13-14H,6-9,22H2,1H3,(H,23,30)(H,24,25)(H,26,27)(H,31,32)/t13-,14-/m0/s1
Definition date:2012-07-13
Last modified:2012-09-07
Release date:2012-09-07
Identifier:L-gamma-glutamyl-S-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-L-cysteinylglycine
FPQ
FPQ
Name:(2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid
Formula:C18 H31 O7 P
SMILES:O=C(O)C(OC/C=C(/C)CCC=C(/C)CCC=C(/C)C)COP(=O)(O)O
InChi:InChI=1S/C18H31O7P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-24-17(18(19)20)13-25-26(21,22)23/h7,9,11,17H,5-6,8,10,12-13H2,1-4H3,(H,19,20)(H2,21,22,23)/b15-9+,16-11-/t17-/m1/s1
Definition date:2011-11-22
Last modified:2012-05-04
Identifier:(2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid
GSW
GSW
Name:D-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINE
Formula:C10 H17 N3 O6 S
SMILES:O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
InChi:InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6+/m1/s1
Definition date:2005-12-22
Last modified:2012-04-10
Identifier:D-gamma-glutamyl-L-cysteinylglycine
GTT
GTT
Name:GLUTATHIONE
Formula:C10 H18 N3 O6 S
SMILES:O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)[NH3+])CS
InChi:InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p+1/t5-,6-/m0/s1
Definition date:1999-07-08
Last modified:2012-04-10
Identifier:N-[(4S)-4-ammonio-4-carboxybutanoyl]-L-cysteinylglycine
MD3
MD3
Name:N-(carboxycarbonyl)-S-(naphthalen-2-ylmethyl)-L-cysteine
Formula:C16 H15 N O5 S
SMILES:O=C(O)C(=O)NC(C(=O)O)CSCc2ccc1c(cccc1)c2
InChi:InChI=1S/C16H15NO5S/c18-14(16(21)22)17-13(15(19)20)9-23-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9H2,(H,17,18)(H,19,20)(H,21,22)/t13-/m0/s1
Definition date:2011-08-11
Last modified:2012-03-02
Identifier:N-(carboxycarbonyl)-S-(naphthalen-2-ylmethyl)-L-cysteine
MD5
MD5
Name:N-(carboxycarbonyl)-S-(3-nitrobenzyl)-L-cysteine
Formula:C12 H12 N2 O7 S
SMILES:O=[N+]([O-])c1cc(ccc1)CSCC(C(=O)O)NC(=O)C(=O)O
InChi:InChI=1S/C12H12N2O7S/c15-10(12(18)19)13-9(11(16)17)6-22-5-7-2-1-3-8(4-7)14(20)21/h1-4,9H,5-6H2,(H,13,15)(H,16,17)(H,18,19)/t9-/m0/s1
Definition date:2011-08-11
Last modified:2012-03-02
Identifier:N-(carboxycarbonyl)-S-(3-nitrobenzyl)-L-cysteine
0P0
0P0
Name:N-[(4R)-4-ammonio-4-carboxybutanoyl]-L-cysteinylglycine
Formula:C10 H18 N3 O6 S
SMILES:O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)[NH3+])CS
InChi:InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p+1/t5-,6-/m0/s1
Synonyms:glutathione
Definition date:2008-11-13
Last modified:2012-01-11
Identifier:N-[(4S)-4-ammonio-4-carboxybutanoyl]-L-cysteinylglycine

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