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8I0

8I0
Name:	(1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C34 H52 N6 O6
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NCc3ccccc3)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C
InChi:	InChI=1S/C34H52N6O6/c1-32(2,3)26(38-31(46)39-33(4,5)6)30(45)40-18-21-23(34(21,7)8)24(40)28(43)37-22(16-20-14-15-35-27(20)42)25(41)29(44)36-17-19-12-10-9-11-13-19/h9-13,20-26,41H,14-18H2,1-8H3,(H,35,42)(H,36,44)(H,37,43)(H2,38,39,46)/t20-,21-,22-,23-,24-,25+,26+/m0/s1
Definition date:	2021-09-16
Last modified:	2024-09-27
Release date:	2022-07-27
Identifier:	(1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

8I4

8I4
Name:	(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid
Formula:	C7 H12 O7
SMILES:	O[CH]1[CH](O)[CH](O)[CH]([CH](O)[CH]1O)C(O)=O
InChi:	InChI=1S/C7H12O7/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h1-6,8-12H,(H,13,14)/t1-,2-,3?,4+,5+,6-/m1/s1
Synonyms:	(2R)-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Definition date:	2021-09-16
Last modified:	2024-09-27
Release date:	2022-08-03
Identifier:	(2~{R},3~{S},5~{S},6~{S})-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid

8I7

8I7
Name:	(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C26 H44 N4 O5
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)C(NC(=O)CC(C)C)C(C)(C)C
InChi:	InChI=1S/C26H44N4O5/c1-14(2)10-18(32)29-21(25(3,4)5)24(35)30-12-17-19(26(17,6)7)20(30)23(34)28-16(13-31)11-15-8-9-27-22(15)33/h14-17,19-21,31H,8-13H2,1-7H3,(H,27,33)(H,28,34)(H,29,32)/t15-,16-,17-,19-,20-,21+/m0/s1
Definition date:	2021-09-16
Last modified:	2024-09-27
Release date:	2022-07-27
Identifier:	(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

8JB

8JB
Name:	(2~{R})-2-azanyl-3-[[(5~{S})-5-[(1~{S})-1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl]-4,5-dihydro-1,2-oxazol-3-yl]sulfanyl]propanoic acid
Formula:	C8 H13 N3 O5 S
SMILES:	N[CH](CSC1=NO[CH](C1)[CH](N)C(O)=O)C(O)=O
InChi:	InChI=1S/C8H13N3O5S/c9-3(7(12)13)2-17-5-1-4(16-11-5)6(10)8(14)15/h3-4,6H,1-2,9-10H2,(H,12,13)(H,14,15)/t3-,4-,6-/m0/s1
Definition date:	2017-02-08
Last modified:	2024-09-27
Release date:	2017-04-05
Identifier:	(2~{R})-2-azanyl-3-[[(5~{S})-5-[(1~{S})-1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl]-4,5-dihydro-1,2-oxazol-3-yl]sulfanyl]propanoic acid

8JC

8JC
Name:	N-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
Formula:	C27 H28 F3 N7 O3
SMILES:	COc1cc(ccc1Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)N4CCN(CC4)C(C)=O
InChi:	InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)
Definition date:	2017-07-14
Last modified:	2024-09-27
Release date:	2017-12-13
Identifier:	~{N}-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide

CL
Name:	CHLORIDE ION
Formula:	Cl
SMILES:	[Cl-]
InChi:	InChI=1S/ClH/h1H/p-1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	chloride

CLB

CLB
Name:	D-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINE
Formula:	C13 H19 B Cl N2 O6
SMILES:	Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)OCC(C(=O)O)N
InChi:	InChI=1S/C13H19BClN2O6/c1-8(18)17-12(6-9-2-4-10(15)5-3-9)14(21,22)23-7-11(16)13(19)20/h2-5,11-12,21-22H,6-7,16H2,1H3,(H,17,18)(H,19,20)/q-1/t11-,12-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-)

CLD

CLD
Name:	D-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINE
Formula:	C13 H19 B Cl N2 O6
SMILES:	Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)OCC(C(=O)O)N
InChi:	InChI=1S/C13H19BClN2O6/c1-8(18)17-12(6-9-2-4-10(15)5-3-9)14(21,22)23-7-11(16)13(19)20/h2-5,11-12,21-22H,6-7,16H2,1H3,(H,17,18)(H,19,20)/q-1/t11-,12+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1S)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-)

CLG

CLG
Name:	2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-ACETYLAMINO]-HEXANOIC ACID
Formula:	C10 H20 N4 O5
SMILES:	O=C(NCCCCC(C(=O)O)N)CNC(=O)CON
InChi:	InChI=1S/C10H20N4O5/c11-7(10(17)18)3-1-2-4-13-8(15)5-14-9(16)6-19-12/h7H,1-6,11-12H2,(H,13,15)(H,14,16)(H,17,18)/t7-/m0/s1
Definition date:	2001-10-05
Last modified:	2024-09-27
Identifier:	N~6~-{N-[(aminooxy)acetyl]glycyl}-L-lysine

CLH

CLH
Name:	2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-ACETYLAMINO]-HEXANOIC ACID
Formula:	C10 H17 N3 O5
SMILES:	O=CC(=O)NCC(=O)NCCCCC(N)C(=O)O
InChi:	InChI=1S/C10H17N3O5/c11-7(10(17)18)3-1-2-4-12-8(15)5-13-9(16)6-14/h6-7H,1-5,11H2,(H,12,15)(H,13,16)(H,17,18)/t7-/m0/s1
Definition date:	2001-10-05
Last modified:	2024-09-27
Identifier:	N~6~-[N-(oxoacetyl)glycyl]-L-lysine

CLR

CLR
Name:	CHOLESTEROL
Formula:	C27 H46 O
SMILES:	OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
InChi:	InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
Definition date:	2002-05-16
Last modified:	2024-09-27
Identifier:	(3beta,14beta,17alpha)-cholest-5-en-3-ol

CLV

CLV
Name:	{(2S)-2-[(1S)-1-AMINOETHYL]-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID
Formula:	C7 H11 N3 O3
SMILES:	O=C1C=NC(N1CC(=O)O)C(N)C
InChi:	InChI=1S/C7H11N3O3/c1-4(8)7-9-2-5(11)10(7)3-6(12)13/h2,4,7H,3,8H2,1H3,(H,12,13)/t4-,7-/m0/s1
Synonyms:	CHROMOPHORE (ALA-PHE-GLY)
Definition date:	2007-03-22
Last modified:	2024-09-27
Identifier:	{(2S)-2-[(1S)-1-aminoethyl]-5-oxo-2,5-dihydro-1H-imidazol-1-yl}acetic acid

CLX

CLX
Name:	TRI-CHLORO-ACETALDEHYDE
Formula:	C2 H Cl3 O
SMILES:	ClC(Cl)(Cl)C=O
InChi:	InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	trichloroacetaldehyde

CMC

CMC
Name:	CARBOXYMETHYL COENZYME *A
Formula:	C23 H38 N7 O18 P3 S
SMILES:	O=C(O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:	InChI=1S/C23H38N7O18P3S/c1-23(2,18(35)21(36)26-4-3-13(31)25-5-6-52-8-14(32)33)9-45-51(42,43)48-50(40,41)44-7-12-17(47-49(37,38)39)16(34)22(46-12)30-11-29-15-19(24)27-10-28-20(15)30/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H,25,31)(H,26,36)(H,32,33)(H,40,41)(H,42,43)(H2,24,27,28)(H2,37,38,39)/t12-,16-,17-,18+,22-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphaicosan-20-oic acid 3,5-dioxide (non-preferred name)

CME

CME
Name:	S,S-(2-HYDROXYETHYL)THIOCYSTEINE
Formula:	C5 H11 N O3 S2
SMILES:	O=C(O)C(N)CSSCCO
InChi:	InChI=1S/C5H11NO3S2/c6-4(5(8)9)3-11-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-[(2-hydroxyethyl)disulfanyl]-L-alanine

CMH

CMH
Name:	S-(METHYLMERCURY)-L-CYSTEINE
Formula:	C4 H9 Hg N O2 S
SMILES:	O=C(O)C(N)CS[Hg]C
InChi:	InChI=1S/C3H7NO2S.CH3.Hg/c4-2(1-7)3(5)6
Definition date:	2004-10-29
Last modified:	2024-09-27
Identifier:	(L-cysteinato-kappaS~3~)(methyl)mercury

CML

CML
Name:	(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acid
Formula:	C7 H11 N O6 S
SMILES:	O=C(O)C(N)CSC(C(=O)O)CC(=O)O
InChi:	InChI=1S/C7H11NO6S/c8-3(6(11)12)2-15-4(7(13)14)1-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)/t3-,4-/m0/s1
Definition date:	2007-10-11
Last modified:	2024-09-27
Identifier:	(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acid

CMQ

CMQ
Name:	N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-L-LEUCINAMIDE
Formula:	C24 H32 N2 O5
SMILES:	O=C(OCc1ccccc1)NC(C(=O)NC(Cc2ccc(O)cc2)C(O)C)CC(C)C
InChi:	InChI=1S/C24H32N2O5/c1-16(2)13-22(26-24(30)31-15-19-7-5-4-6-8-19)23(29)25-21(17(3)27)14-18-9-11-20(28)12-10-18/h4-12,16-17,21-22,27-28H,13-15H2,1-3H3,(H,25,29)(H,26,30)/t17-,21-,22-/m0/s1
Definition date:	2006-02-16
Last modified:	2024-09-27
Identifier:	N~2~-[(benzyloxy)carbonyl]-N-[(1S,2S)-2-hydroxy-1-(4-hydroxybenzyl)propyl]-L-leucinamide

CMT

CMT
Name:	O-METHYLCYSTEINE
Formula:	C4 H9 N O2 S
SMILES:	O=C(OC)C(N)CS
InChi:	InChI=1S/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3/t3-/m0/s1
Definition date:	2000-01-19
Last modified:	2024-09-27
Identifier:	methyl L-cysteinate

CMV

CMV
Name:	(2R,4S)-2-[(1R)-1-({(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C22 H29 N5 O6 S
SMILES:	O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NN3C(=O)C(=O)N(CC)CC3
InChi:	InChI=1S/C22H29N5O6S/c1-4-26-10-11-27(20(31)19(26)30)25-15(13-8-6-5-7-9-13)17(29)23-14(12-28)18-24-16(21(32)33)22(2,3)34-18/h5-9,12,14-16,18,24-25H,4,10-11H2,1-3H3,(H,23,29)(H,32,33)/t14-,15-,16+,18-/m1/s1
Definition date:	2009-07-02
Last modified:	2024-09-27
Identifier:	(2R,4S)-2-[(1R)-1-({(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

CNC

CNC
Name:	CYANOCOBALAMIN
Formula:	C63 H89 Co N14 O14 P
SMILES:	NC(=O)CC1(C)C2=C(C)C=3C(CCC(N)=O)C(C)(CC(N)=O)C4(C)N=3[Co+2]35(C#N)N2=C(C=C2n3c(C(CCC(N)=O)C2(C)C)c(C)c2n5C4C(CC(N)=O)C2(C)CCC(=O)NCC(C)OP(=O)(O)OC2C(CO)OC(n3cnc4cc(C)c(C)cc43)C2O)C1CCC(N)=O
InChi:	InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(cyanido-kappaC)[5-(5,6-dimethyl-1H-benzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl 1-{3-[3,14,19-tris(2-amino-2-oxoethyl)-8,13,18-tris(3-amino-3-oxopropyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1~2,5~.1~7,10~.1~12,15~]tricosa-5,7(22),10,12(21),15,17(20)-hexaen-4-yl-kappa~4~N~20~,N~21~,N~22~,N~23~]propanamido}propan-2-yl hydrogenato phosphate]cobalt(2+) (non-preferred name)

CNE

CNE
Name:	(3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID
Formula:	C31 H36 Cl F N2 O8 S
SMILES:	Clc1cccc(F)c1CSCC(=O)C(NC(=O)C(NC(=O)Cc2cc(C=CC(=O)OC)ccc2OCC)C(C)C)CC(=O)O
InChi:	InChI=1S/C31H36ClFN2O8S/c1-5-43-26-11-9-19(10-12-29(40)42-4)13-20(26)14-27(37)35-30(18(2)3)31(41)34-24(15-28(38)39)25(36)17-44-16-21-22(32)7-6-8-23(21)33/h6-13,18,24,30H,5,14-17H2,1-4H3,(H,34,41)(H,35,37)(H,38,39)/b12-10+/t24-,30-/m0/s1
Definition date:	2003-11-24
Last modified:	2024-09-27
Identifier:	(3S)-5-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-{[N-({2-ethoxy-5-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]phenyl}acetyl)-L-valyl]amino}-4-oxopentanoic acid

CNT

CNT
Name:	N-METHYL-META-CHLORO-TYROSINE
Formula:	C10 H12 Cl N O3
SMILES:	Clc1cc(ccc1O)CC(C(=O)O)NC
InChi:	InChI=1S/C10H12ClNO3/c1-12-8(10(14)15)5-6-2-3-9(13)7(11)4-6/h2-4,8,12-13H,5H2,1H3,(H,14,15)/t8-/m0/s1
Synonyms:	N-METHYL-3-CHLORO-TYROSINE
Definition date:	2003-07-31
Last modified:	2024-09-27
Identifier:	3-chloro-N-methyl-L-tyrosine

CO2

CO2
Name:	CARBON DIOXIDE
Formula:	C O2
SMILES:	O=C=O
InChi:	InChI=1S/CO2/c2-1-3
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	dioxomethane

COA

COA
Name:	COENZYME A
Formula:	C21 H36 N7 O16 P3 S
SMILES:	O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:	InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate (non-preferred name)

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243911

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