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CBU
CBU
Name:(1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL
Formula:C6 H12 O6
SMILES:OC1C(O)C(O)C(O)C(O)C1O
InChi:InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m0/s1
Definition date:2008-05-03
Last modified:2024-09-27
Identifier:(1R,2R,3S,4S,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol
CCD
CCD
Name:(4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM
Formula:C8 H20 N O
SMILES:OC(C)CCC[N+](C)(C)C
InChi:InChI=1S/C8H20NO/c1-8(10)6-5-7-9(2,3)4/h8,10H,5-7H2,1-4H3/q+1/t8-/m1/s1
Definition date:2006-06-15
Last modified:2024-09-27
Identifier:(4R)-4-hydroxy-N,N,N-trimethylpentan-1-aminium
CCS
CCS
Name:CARBOXYMETHYLATED CYSTEINE
Formula:C5 H9 N O4 S
SMILES:O=C(O)C(N)CSCC(=O)O
InChi:InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:S-(carboxymethyl)-L-cysteine
CCY
CCY
Name:2-(1-AMINO-2-MERCAPTO-ETHYL)-5-(4-HYDROXY-BENZYL)-3-(ETHANOYL)-3,5-DIHYDRO-IMIDAZOL-4-ONE
Formula:C14 H19 N3 O4 S
SMILES:O=C1N(CC(=O)O)C(NC1Cc2ccc(O)cc2)C(N)CS
InChi:InChI=1S/C14H19N3O4S/c15-10(7-22)13-16-11(14(21)17(13)6-12(19)20)5-8-1-3-9(18)4-2-8/h1-4,10-11,13,16,18,22H,5-7,15H2,(H,19,20)/t10-,11-,13-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:[(2S,4S)-2-[(1R)-1-amino-2-sulfanylethyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid
CCZ
CCZ
Name:phenyl (4-carbamimidoylbenzyl)phosphonate
Formula:C14 H15 N2 O3 P
SMILES:O=P(O)(Oc1ccccc1)Cc2ccc(C(=[N@H])N)cc2
InChi:InChI=1S/C14H15N2O3P/c15-14(16)12-8-6-11(7-9-12)10-20(17,18)19-13-4-2-1-3-5-13/h1-9H,10H2,(H3,15,16)(H,17,18)
Synonyms:phenyl Benzamidine Phosphonate
Definition date:2010-07-27
Last modified:2024-09-27
Identifier:phenyl hydrogen (R)-(4-carbamimidoylbenzyl)phosphonate
CD6
CD6
Name:(2R)-5-methylidene-2-{(1R)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:C16 H16 N2 O4 S
SMILES:O=CC(NC(=O)Cc1ccccc1)C2N=C(C(=O)O)C(=C)CS2
InChi:InChI=1S/C16H16N2O4S/c1-10-9-23-15(18-14(10)16(21)22)12(8-19)17-13(20)7-11-5-3-2-4-6-11/h2-6,8,12,15H,1,7,9H2,(H,17,20)(H,21,22)/t12-,15-/m1/s1
Definition date:2012-01-19
Last modified:2024-09-27
Release date:2012-09-14
Identifier:(2R)-5-methylidene-2-{(1R)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
CD7
CD7
Name:(2S,5Z)-1-formyl-5-imino-N'-[(3R)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide
Formula:C12 H19 N5 O7 S
SMILES:O=CN1C(CCC(/C1)=N)C(NNC(=O)C2CCN(OS(=O)(=O)O)C2)=O
InChi:InChI=1S/C12H19N5O7S/c13-9-1-2-10(16(6-9)7-18)12(20)15-14-11(19)8-3-4-17(5-8)24-25(21,22)23/h7-8,10,13H,1-6H2,(H,14,19)(H,15,20)(H,21,22,23)/b13-9-/t8-,10+/m1/s1
Synonyms:open form - WCK 5153
Definition date:2017-09-20
Last modified:2024-09-27
Release date:2018-08-01
Identifier:(2S,5Z)-1-formyl-5-imino-N'-[(3R)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide
CD8
CD8
Name:(2R)-2-[(1S)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:C16 H16 N2 O5 S
SMILES:O=CC(OC)(NC(=O)c1ccccc1)C2N=C(C(=O)O)C(=C)CS2
InChi:InChI=1S/C16H16N2O5S/c1-10-8-24-15(17-12(10)14(21)22)16(9-19,23-2)18-13(20)11-6-4-3-5-7-11/h3-7,9,15H,1,8H2,2H3,(H,18,20)(H,21,22)/t15-,16+/m1/s1
Definition date:2012-01-12
Last modified:2024-09-27
Release date:2012-09-14
Identifier:(2R)-2-[(1S)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
CDE
CDE
Name:1,2-DIMETHYL-PROPYLAMINE
Formula:C5 H13 N
SMILES:NC(C)C(C)C
InChi:InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3/t5-/m1/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(2R)-3-methylbutan-2-amine
CDS
CDS
Name:(2R)-2-[(1R)-1-{[(2Z)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ACETYL]AMINO}-2-OXOETHYL]-5-[(Z)-2-(4-METHYL-1,3-THIAZOL-5-YL)VINYL]-3,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID
Formula:C19 H20 N6 O5 S3
SMILES:O=CC(NC(=O)/C(=NOC)c1nc(sc1)N)C2SCC(=C(N2)C(=O)O)/C=Cc3scnc3C
InChi:InChI=1S/C19H20N6O5S3/c1-9-13(33-8-21-9)4-3-10-6-31-17(24-14(10)18(28)29)11(5-26)22-16(27)15(25-30-2)12-7-32-19(20)23-12/h3-5,7-8,11,17,24H,6H2,1-2H3,(H2,20,23)(H,22,27)(H,28,29)/b4-3-,25-15-/t11-,17-/m1/s1
Definition date:2007-05-29
Last modified:2024-09-27
Identifier:(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
CE7
CE7
Name:(3S)-3-amino-4,4,4-trihydroxybutanamide
Formula:C4 H10 N2 O4
SMILES:C(C(N)=O)C(N)C(O)(O)O
InChi:InChI=1S/C4H10N2O4/c5-2(1-3(6)7)4(8,9)10/h2,8-10H,1,5H2,(H2,6,7)/t2-/m0/s1
Definition date:2017-09-20
Last modified:2024-09-27
Release date:2018-02-07
Identifier:(3S)-3-amino-4,4,4-trihydroxybutanamide
CED
CED
Name:5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
Formula:C14 H16 N2 O4 S2
SMILES:O=CC(NC(=O)Cc1sccc1)C2SCC(=C(C(=O)O)N2)C
InChi:InChI=1S/C14H16N2O4S2/c1-8-7-22-13(16-12(8)14(19)20)10(6-17)15-11(18)5-9-3-2-4-21-9/h2-4,6,10,13,16H,5,7H2,1H3,(H,15,18)(H,19,20)/t10-,13-/m1/s1
Synonyms:DEGRADED CEPHALORIDINE, open form
Definition date:2000-12-20
Last modified:2024-09-27
Identifier:(2R)-5-methyl-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
CEF
CEF
Name:CEFOTAXIME, C3' cleaved, open, bound form
Formula:C14 H15 N5 O5 S2
SMILES:CON=C(C(=O)N[CH](C=O)[CH]1SCC(=C)C(=N1)C(O)=O)c2csc(N)n2
InChi:InChI=1S/C14H15N5O5S2/c1-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24-2)8-5-26-14(15)17-8/h3,5,7,12H,1,4H2,2H3,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t7-,12-/m1/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:2-[1-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanylidene-ethyl]-5-methylidene-2H-1,3-thiazine-4-carboxylic acid
CEH
CEH
Name:5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBOXY-BUTYRYLAMINO)-3-[1-(R)-(1-(R)-CARBOXY-ETHYLCARBAMOYL)-ETHYLCARBAMOYL]-PROPYL}-2-( CARBOXY-PHENYLACETYLAMINO-METHYL)-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
Formula:C32 H42 N6 O13 S
SMILES:O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)CCC(C(=O)O)NC(=O)C)CCC1=C(NC(SC1)C(NC(=O)Cc2ccccc2)C(=O)O)C(=O)O)C)C
InChi:InChI=1S/C32H42N6O13S/c1-15(26(42)34-16(2)29(44)45)33-27(43)20(36-22(40)12-11-21(30(46)47)35-17(3)39)10-9-19-14-52-28(38-24(19)31(48)49)25(32(50)51)37-23(41)13-18-7-5-4-6-8-18/h4-8,15-16,20-21,25,28,38H,9-14H2,1-3H3,(H,33,43)(H,34,42)(H,35,39)(H,36,40)(H,37,41)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/t15-,16-,20+,21-,25+,28-/m1/s1
Synonyms:CEPHALOSPORIN ANALOG
Definition date:2001-01-09
Last modified:2024-09-27
Identifier:N-{(2S)-2-[(N-acetyl-D-gamma-glutamyl)amino]-4-[(2R)-4-carboxy-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-3,6-dihydro-2H-1,3-thiazin-5-yl]butanoyl}-D-alanyl-D-alanine
CEM
CEM
Name:N-(1-CARBOXY-2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-CISPROPENYL)AMINE
Formula:C8 H11 N O5
SMILES:O=CCC(O)C(NC=C/C=O)C(=O)O
InChi:InChI=1S/C8H11NO5/c10-4-1-3-9-7(8(13)14)6(12)2-5-11/h1,3-7,9,12H,2H2,(H,13,14)/b3-1-/t6-,7+/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(3S)-3-hydroxy-5-oxo-N-[(1Z)-3-oxoprop-1-en-1-yl]-D-norvaline
CEO
CEO
Name:5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
Formula:C14 H14 N2 O4 S2
SMILES:O=CC(NC(=O)Cc1sccc1)C2N=C(C(=C)CS2)C(=O)O
InChi:InChI=1S/C14H14N2O4S2/c1-8-7-22-13(16-12(8)14(19)20)10(6-17)15-11(18)5-9-3-2-4-21-9/h2-4,6,10,13H,1,5,7H2,(H,15,18)(H,19,20)/t10-,13-/m1/s1
Synonyms:HYDROLYZED CEPHALOTHIN
Definition date:2002-02-11
Last modified:2024-09-27
Identifier:(2R)-5-methylidene-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
CEP
CEP
Name:CEPHALOTHIN GROUP
Formula:C16 H18 N2 O6 S2
SMILES:O=C(OC)CC1=C(NC(SC1)C(NC(=O)Cc2sccc2)C=O)C(=O)O
InChi:InChI=1S/C16H18N2O6S2/c1-24-13(21)5-9-8-26-15(18-14(9)16(22)23)11(7-19)17-12(20)6-10-3-2-4-25-10/h2-4,7,11,15,18H,5-6,8H2,1H3,(H,17,20)(H,22,23)/t11-,15-/m1/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(2R)-5-(2-methoxy-2-oxoethyl)-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
CER
CER
Name:(2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE
Formula:C12 H19 N O3
SMILES:O=C(N)CC(O)C(=O)CC/C=C/C/C=C/C
InChi:InChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-10(14)11(15)9-12(13)16/h2-3,5-6,11,15H,4,7-9H2,1H3,(H2,13,16)/b3-2+,6-5+/t11-/m0/s1
Synonyms:CERULENIN
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(3S,7E,10E)-3-hydroxy-4-oxododeca-7,10-dienamide
CES
CES
Name:2-[CARBOXY-(2-FURAN-2-YL-2-METHOXYIMINO-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
Formula:C15 H17 N3 O7 S
SMILES:O=C(O)C(NC(=O)/C(=NOC)c1occc1)C2SCC(=C(N2)C(=O)O)C
InChi:InChI=1S/C15H17N3O7S/c1-7-6-26-13(17-9(7)14(20)21)11(15(22)23)16-12(19)10(18-24-2)8-4-3-5-25-8/h3-5,11,13,17H,6H2,1-2H3,(H,16,19)(H,20,21)(H,22,23)/b18-10-/t11-,13+/m0/s1
Synonyms:CEFUROXIME (INHIBITION FORM)
Definition date:1999-10-06
Last modified:2024-09-27
Identifier:(2R)-2-[(R)-carboxy{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
CEV
CEV
Name:ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
Formula:C11 H20 N2 O3
SMILES:O=C1NCCC1CC(N)CCC(=O)OCC
InChi:InChI=1S/C11H20N2O3/c1-2-16-10(14)4-3-9(12)7-8-5-6-13-11(8)15/h8-9H,2-7,12H2,1H3,(H,13,15)/t8-,9+/m0/s1
Definition date:2012-04-05
Last modified:2024-09-27
Identifier:ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
CF0
CF0
Name:fluoromethane
Formula:C H3 F
SMILES:FC
InChi:InChI=1S/CH3F/c1-2/h1H3
Synonyms:Fluoro methyl group
Definition date:2009-01-06
Last modified:2024-09-27
Identifier:fluoromethane
CFD
CFD
Name:(2R,3E,5R)-5-amino-2,4-dimethylhex-3-enal
Formula:C8 H15 N O2
SMILES:O=CC(C=C(/C)C(N)C)C
InChi:InChI=1S/C8H15NO2/c1-5(7(3)9)4-6(2)8(10)11/h4,6-7H,9H2,1-3H3,(H,10,11)/b5-4+/t6-,7-/m1/s1
Definition date:2008-12-17
Last modified:2024-09-27
Identifier:(2R,3E,5R)-5-amino-2,4-dimethylhex-3-enal
CFT
CFT
Name:TRIFLUOROMETHANE
Formula:C H F3
SMILES:FC(F)F
InChi:InChI=1S/CHF3/c2-1(3)4/h1H
Definition date:2003-01-31
Last modified:2024-09-27
Identifier:trifluoromethane
CFU
CFU
Name:(2R)-2-[(1R)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:C10 H14 N2 O4 S
SMILES:O=CC(NC(=O)C)C1SCC(=C(C(=O)O)N1)C
InChi:InChI=1S/C10H14N2O4S/c1-5-4-17-9(12-8(5)10(15)16)7(3-13)11-6(2)14/h3,7,9,12H,4H2,1-2H3,(H,11,14)(H,15,16)/t7-,9-/m1/s1
Definition date:2014-09-05
Last modified:2024-09-27
Release date:2014-09-17
Identifier:(2R)-2-[(1R)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
CFY
CFY
Name:[(4Z)-2-{(2R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-2,5-dihydro-1,3-thiazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:C23 H22 N4 O5 S
SMILES:O=C(O)CN1C(=O)C(N=C1C2=NC(O)(SC2)C(N)Cc3ccccc3)=Cc4ccc(O)cc4
InChi:InChI=1S/C23H22N4O5S/c24-19(11-14-4-2-1-3-5-14)23(32)26-18(13-33-23)21-25-17(22(31)27(21)12-20(29)30)10-15-6-8-16(28)9-7-15/h1-10,19,28,32H,11-13,24H2,(H,29,30)/b17-10-/t19-,23+/m0/s1
Synonyms:CHROMOPHORE (PHE-CYS-TYR-GLY)
Definition date:2006-02-14
Last modified:2024-09-27
Identifier:[(4Z)-2-{(2R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-2,5-dihydro-1,3-thiazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

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數據於2025-06-04公開中

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