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XPC
XPC
Name:(3S,4R)-4-aminopyrrolidine-3-carboxylic acid
Formula:C5 H10 N2 O2
SMILES:O=C(O)C1CNCC1N
InChi:InChI=1S/C5H10N2O2/c6-4-2-7-1-3(4)5(8)9/h3-4,7H,1-2,6H2,(H,8,9)/t3-,4-/m0/s1
Synonyms:(3R,4S)-3-Aminopyrrolidine-4-carboxylic acid
Definition date:2008-02-05
Last modified:2024-09-27
Identifier:(3S,4R)-4-aminopyrrolidine-3-carboxylic acid
NXU
NXU
Name:(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:C19 H22 N2 O5 S
SMILES:O=C(NC(C1SC(C(N1)C(=O)O)(C)C)CO)c3c2ccccc2ccc3O
InChi:InChI=1S/C19H22N2O5S/c1-19(2)15(18(25)26)21-17(27-19)12(9-22)20-16(24)14-11-6-4-3-5-10(11)7-8-13(14)23/h3-8,12,15,17,21-23H,9H2,1-2H3,(H,20,24)(H,25,26)/t12-,15+,17-/m1/s1
Definition date:2014-09-12
Last modified:2024-09-27
Release date:2014-09-24
Identifier:(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
U1P
U1P
Name:6-[(E)-iminomethyl]uridine 5'-phosphate
Formula:C10 H14 N3 O9 P
SMILES:O=C1NC(=O)N(C(C=[N@H])=C1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C10H14N3O9P/c11-2-4-1-6(14)12-10(17)13(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1-2,5,7-9,11,15-16H,3H2,(H,12,14,17)(H2,18,19,20)/b11-2+/t5-,7-,8-,9-/m1/s1
Definition date:2008-10-23
Last modified:2024-09-27
Identifier:6-[(E)-iminomethyl]uridine 5'-(dihydrogen phosphate)
YTH
YTH
Name:O-phosphono-L-allothreonine
Formula:C4 H10 N O6 P
SMILES:O=P(OC(C)C(N)C(=O)O)(O)O
InChi:InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3-/m0/s1
Definition date:2014-10-07
Last modified:2024-09-27
Release date:2014-12-03
Identifier:O-phosphono-L-allothreonine
MBD
MBD
Name:3-METHYLCATECHOL
Formula:C7 H8 O2
SMILES:Oc1c(cccc1O)C
InChi:InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3
Synonyms:3-METHYL-BENZENE-1,2-DIOL
Definition date:2001-12-19
Last modified:2024-09-27
Identifier:3-methylbenzene-1,2-diol
KPF
KPF
Name:N-(1-carboxy-2-fluoro-ethenyl) lysine
Formula:C9 H15 F N2 O4
SMILES:N[CH](CCCCN=C(CF)C(O)=O)C(O)=O
InChi:InChI=1S/C9H15FN2O4/c10-5-7(9(15)16)12-4-2-1-3-6(11)8(13)14/h6H,1-5,11H2,(H,13,14)(H,15,16)/b12-7+/t6-/m0/s1
Definition date:2015-07-15
Last modified:2024-09-27
Release date:2015-11-18
Identifier:(2S)-2-azanyl-6-[(Z)-(3-fluoranyl-1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]hexanoic acid
PLM
PLM
Name:PALMITIC ACID
Formula:C16 H32 O2
SMILES:O=C(O)CCCCCCCCCCCCCCC
InChi:InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:hexadecanoic acid
U1R
U1R
Name:5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde
Formula:C17 H12 Br N O2
SMILES:O=Cc1ncc(Br)cc1OCc1cc2ccccc2cc1
InChi:InChI=1S/C17H12BrNO2/c18-15-8-17(16(10-20)19-9-15)21-11-12-5-6-13-3-1-2-4-14(13)7-12/h1-10H,11H2
Definition date:2022-08-02
Last modified:2024-09-27
Release date:2023-06-28
Identifier:5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde
NJ3
NJ3
Name:2-chloranyl-1-[3-[(2R,6S)-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonyl-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
Formula:C25 H35 Cl2 N3 O3
SMILES:C[CH]1CC(C[CH](C)O1)(Nc2ccc(Cl)cc2)C(=O)N3CCC4(CCN(CC4)C(=O)CCl)CC3
InChi:InChI=1S/C25H35Cl2N3O3/c1-18-15-25(16-19(2)33-18,28-21-5-3-20(27)4-6-21)23(32)30-13-9-24(10-14-30)7-11-29(12-8-24)22(31)17-26/h3-6,18-19,28H,7-17H2,1-2H3/t18-,19+,25+
Definition date:2022-08-17
Last modified:2024-09-27
Release date:2023-09-20
Identifier:2-chloranyl-1-[3-[(2~{R},6~{S})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonyl-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
PLP
PLP
Name:PYRIDOXAL-5'-PHOSPHATE
Formula:C8 H10 N O6 P
SMILES:O=P(O)(O)OCc1cnc(c(O)c1C=O)C
InChi:InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
Synonyms:VITAMIN B6 Phosphate
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
VMX
VMX
Name:5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine
Formula:C13 H21 N7 O5 S
SMILES:NCCC[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:InChI=1S/C13H21N7O5S/c14-2-1-3-26(23,24)19-4-7-9(21)10(22)13(25-7)20-6-18-8-11(15)16-5-17-12(8)20/h5-7,9-10,13,19,21-22H,1-4,14H2,(H2,15,16,17)/t7-,9-,10-,13-/m1/s1
Definition date:2009-12-30
Last modified:2024-09-27
Identifier:N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-3-azanyl-propane-1-sulfonamide
S08
S08
Name:2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid
Formula:C18 H17 B N2 O6
SMILES:NC(=O)[CH](NC(=O)c1ccc2[CH](CC(O)=O)OB(O)c2c1)c3ccccc3
InChi:InChI=1S/C18H17BN2O6/c20-17(24)16(10-4-2-1-3-5-10)21-18(25)11-6-7-12-13(8-11)19(26)27-14(12)9-15(22)23/h1-8,14,16,26H,9H2,(H2,20,24)(H,21,25)(H,22,23)/t14-,16+/m0/s1
Synonyms:2-[(3S)-6-[[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]ethanoic acid
Definition date:2020-11-04
Last modified:2024-09-27
Release date:2021-08-11
Identifier:2-[(3~{S})-6-[[(1~{R})-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid
KPI
KPI
Name:(2S)-2-amino-6-[(1-hydroxy-1-oxo-propan-2-ylidene)amino]hexanoic acid
Formula:C9 H16 N2 O4
SMILES:OC(C(N)CCCCN=C(/C)C(O)=O)=O
InChi:InChI=1S/C9H16N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,12,13)(H,14,15)/b11-6+/t7-/m0/s1
Definition date:2008-07-25
Last modified:2024-09-27
Identifier:(E)-N~6~-(1-carboxyethylidene)-L-lysine
Y33
Y33
Name:(5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid
Formula:C17 H27 N3 O6 S
SMILES:CC1(CC(SC2CC(NC2)C(=O)N(C)C)=C(N1)C(=O)O)C(C(O)C)C(=O)O
InChi:InChI=1S/C17H27N3O6S/c1-8(21)12(15(23)24)17(2)6-11(13(19-17)16(25)26)27-9-5-10(18-7-9)14(22)20(3)4/h8-10,12,18-19,21H,5-7H2,1-4H3,(H,23,24)(H,25,26)/t8-,9+,10+,12+,17-/m1/s1
Definition date:2023-01-03
Last modified:2024-09-27
Release date:2023-10-11
Identifier:(5R)-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid
ODA
ODA
Name:9-AMINO-6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPINE-1-CARBOXYLIC ACID
Formula:C10 H15 N3 O4
SMILES:O=C(O)C2N1C(=O)C(N)CCC(=O)N1CCC2
InChi:InChI=1S/C10H15N3O4/c11-6-3-4-8(14)12-5-1-2-7(10(16)17)13(12)9(6)15/h6-7H,1-5,11H2,(H,16,17)/t6-,7-/m0/s1
Definition date:1999-10-14
Last modified:2024-09-27
Identifier:(1S,9S)-9-amino-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
KAQ
KAQ
Name:(2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-methylsulfanyl-pyrrolidine-2-carboxamide
Formula:C22 H26 N4 O S
SMILES:CS[CH]1CN[CH](C1)C(=O)N[CH](CN)Cc2ccc(cc2)c3ccc(cc3)C#N
InChi:InChI=1S/C22H26N4OS/c1-28-20-11-21(25-14-20)22(27)26-19(13-24)10-15-2-6-17(7-3-15)18-8-4-16(12-23)5-9-18/h2-9,19-21,25H,10-11,13-14,24H2,1H3,(H,26,27)/t19-,20-,21-/m0/s1
Definition date:2019-05-08
Last modified:2024-09-27
Release date:2019-08-28
Identifier:(2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-methylsulfanyl-pyrrolidine-2-carboxamide
NY0
NY0
Name:1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one
Formula:C11 H12 N2 O2
SMILES:CCC(=O)N1CC(=Nc2ccccc12)O
InChi:InChI=1S/C11H12N2O2/c1-2-11(15)13-7-10(14)12-8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H,12,14)
Synonyms:4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one (precursor)
Definition date:2022-08-24
Last modified:2024-09-27
Release date:2022-09-28
Identifier:1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one
PLR
PLR
Name:(5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
Formula:C8 H12 N O5 P
SMILES:O=P(O)(O)OCc1cnc(c(O)c1C)C
InChi:InChI=1S/C8H12NO5P/c1-5-7(4-14-15(11,12)13)3-9-6(2)8(5)10/h3,10H,4H2,1-2H3,(H2,11,12,13)
Synonyms:4'-DEOXYPYRIDOXINE PHOSPHATE
Definition date:2003-07-03
Last modified:2024-09-27
Identifier:(5-hydroxy-4,6-dimethylpyridin-3-yl)methyl dihydrogen phosphate
PLS
PLS
Name:[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
Formula:C11 H17 N2 O8 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CO
InChi:InChI=1S/C11H17N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2,9,13-15H,3-5H2,1H3,(H,16,17)(H2,18,19,20)/t9-/m0/s1
Synonyms:PYRIDOXYL-SERINE-5-MONOPHOSPHATE
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-serine
ZY9
ZY9
Name:6-(aminomethyl)pyridine-2-carboxylic acid
Formula:C7 H8 N2 O2
SMILES:NCc1cccc(n1)C(O)=O
InChi:InChI=1S/C7H8N2O2/c8-4-5-2-1-3-6(9-5)7(10)11/h1-3H,4,8H2,(H,10,11)
Definition date:2018-10-24
Last modified:2024-09-27
Release date:2019-09-18
Identifier:6-(aminomethyl)pyridine-2-carboxylic acid
UFH
UFH
Name:2-bromanyl-4-imidazol-1-yl-benzaldehyde
Formula:C10 H7 Br N2 O
SMILES:Brc1cc(ccc1C=O)n2ccnc2
InChi:InChI=1S/C10H7BrN2O/c11-10-5-9(2-1-8(10)6-14)13-4-3-12-7-13/h1-7H
Definition date:2021-02-12
Last modified:2024-09-27
Release date:2021-06-16
Identifier:2-bromanyl-4-imidazol-1-yl-benzaldehyde
LWZ
LWZ
Name:3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide
Formula:C6 H10 N4 O S2
SMILES:SC(S)CC(=O)NCc1c[nH]nn1
InChi:InChI=1S/C6H10N4OS2/c11-5(1-6(12)13)7-2-4-3-8-10-9-4/h3,6,12-13H,1-2H2,(H,7,11)(H,8,9,10)
Definition date:2019-09-25
Last modified:2024-09-27
Release date:2020-08-05
Identifier:3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide
ODC
ODC
Name:2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide
Formula:C19 H26 Cl2 N2 O3
SMILES:CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCNC(=O)CCl)CC2
InChi:InChI=1S/C19H26Cl2N2O3/c1-19(2,26-16-5-3-15(21)4-6-16)18(25)23-11-8-14(9-12-23)7-10-22-17(24)13-20/h3-6,14H,7-13H2,1-2H3,(H,22,24)
Definition date:2022-09-05
Last modified:2024-09-27
Release date:2023-09-20
Identifier:2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide
XPL
XPL
Name:N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine
Formula:C12 H24 N4 O3
SMILES:O=C(NCCCCC(C(=O)O)N)C1NC(N)CC1C
InChi:InChI=1S/C12H24N4O3/c1-7-6-9(14)16-10(7)11(17)15-5-3-2-4-8(13)12(18)19/h7-10,16H,2-6,13-14H2,1H3,(H,15,17)(H,18,19)/t7-,8+,9-,10-/m1/s1
Synonyms:4-amino reduced pyrrolysine
Definition date:2014-07-30
Last modified:2024-09-27
Identifier:N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine
SFR
SFR
Name:(2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid
Formula:C12 H17 N O6 S
SMILES:OC(=O)C(C1NC(C(O)=O)=C(S1)C2OCCC2)C(O)C
InChi:InChI=1S/C12H17NO6S/c1-5(14)7(11(15)16)10-13-8(12(17)18)9(20-10)6-3-2-4-19-6/h5-7,10,13-14H,2-4H2,1H3,(H,15,16)(H,17,18)/t5-,6-,7-,10-/m1/s1
Synonyms:FAROPENEM, unbound, hydrolyzed form
Definition date:2007-11-27
Last modified:2024-09-27
Identifier:(2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid

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