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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)

54C

54C
Name:	(betaR)-beta-hydroxy-1-{2-[(2R)-oxiran-2-yl]propan-2-yl}-L-tryptophan
Formula:	C16 H20 N2 O4
SMILES:	C(C(=O)O)(N)C(c1cn(c2c1cccc2)C(C)(C)C3CO3)O
InChi:	InChI=1S/C16H20N2O4/c1-16(2,12-8-22-12)18-7-10(14(19)13(17)15(20)21)9-5-3-4-6-11(9)18/h3-7,12-14,19H,8,17H2,1-2H3,(H,20,21)/t12-,13-,14+/m0/s1
Definition date:	2015-07-23
Last modified:	2024-09-27
Release date:	2015-10-28
Identifier:	(betaR)-beta-hydroxy-1-{2-[(2R)-oxiran-2-yl]propan-2-yl}-L-tryptophan

54G

54G
Name:	2-hydroxy-5-methylbenzoic acid
Formula:	C8 H8 O3
SMILES:	c1cc(c(cc1C)C(O)=O)O
InChi:	InChI=1S/C8H8O3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
Definition date:	2015-07-23
Last modified:	2024-09-27
Release date:	2016-07-27
Identifier:	2-hydroxy-5-methylbenzoic acid

54I

54I
Name:	(3E)-3-(hydroxyimino)propanoic acid
Formula:	C3 H5 N O3
SMILES:	O=C(O)CC=NO
InChi:	InChI=1S/C3H5NO3/c5-3(6)1-2-4-7/h2,7H,1H2,(H,5,6)/b4-2+
Definition date:	2021-07-15
Last modified:	2024-09-27
Release date:	2021-12-01
Identifier:	(3E)-3-(hydroxyimino)propanoic acid

54L

54L
Name:	pent-4-ynoic acid
Formula:	C5 H6 O2
SMILES:	C(CCC#C)(=O)O
InChi:	InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h1H,3-4H2,(H,6,7)
Definition date:	2015-07-23
Last modified:	2024-09-27
Release date:	2015-12-02
Identifier:	pent-4-ynoic acid

55I

55I
Name:	4-(trifluoromethyl)-L-phenylalanine
Formula:	C10 H10 F3 N O2
SMILES:	FC(F)(F)c1ccc(CC(N)C(=O)O)cc1
InChi:	InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1
Definition date:	2021-07-16
Last modified:	2024-09-27
Release date:	2021-09-29
Identifier:	4-(trifluoromethyl)-L-phenylalanine

55S

55S
Name:	6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine
Formula:	C20 H25 N5 O3 S
SMILES:	c4c(Nc3nc1ncnc1c(OCC2CCCCC2)n3)ccc(c4)S(=O)(CC)=O
InChi:	InChI=1S/C20H25N5O3S/c1-2-29(26,27)16-10-8-15(9-11-16)23-20-24-18-17(21-13-22-18)19(25-20)28-12-14-6-4-3-5-7-14/h8-11,13-14H,2-7,12H2,1H3,(H2,21,22,23,24,25)
Definition date:	2015-07-30
Last modified:	2024-09-27
Release date:	2015-09-16
Identifier:	6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine

562

562
Name:	N~5~-[N-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-L-ornithine
Formula:	C12 H26 N7 O4
SMILES:	NC(CCCNC(=N)NCCOCCOCCN=[N+]=N)C(=O)O
InChi:	InChI=1S/C12H25N7O4/c13-10(11(20)21)2-1-3-16-12(14)17-4-6-22-8-9-23-7-5-18-19-15/h10,15H,1-9,13H2,(H3-,14,16,17,20,21)/p+1/t10-/m0/s1
Definition date:	2015-07-31
Last modified:	2024-09-27
Release date:	2018-03-14
Identifier:	N~5~-[N-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-L-ornithine

56A

56A
Name:	3-(8-phenyloctyl)-L-histidine
Formula:	C20 H29 N3 O2
SMILES:	O=C(O)C(N)Cc1cncn1CCCCCCCCc2ccccc2
InChi:	InChI=1S/C20H29N3O2/c21-19(20(24)25)14-18-15-22-16-23(18)13-9-4-2-1-3-6-10-17-11-7-5-8-12-17/h5,7-8,11-12,15-16,19H,1-4,6,9-10,13-14,21H2,(H,24,25)/t19-/m0/s1
Definition date:	2011-04-29
Last modified:	2024-09-27
Identifier:	3-(8-phenyloctyl)-L-histidine

56C

56C
Name:	N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine
Formula:	C14 H30 N7 O5
SMILES:	NC(C(=O)O)CCCNC(=N)NCCOCCOCCOCC/N=[N+]=N
InChi:	InChI=1S/C14H29N7O5/c15-12(13(22)23)2-1-3-18-14(16)19-4-6-24-8-10-26-11-9-25-7-5-20-21-17/h12,17H,1-11,15H2,(H3-,16,18,19,22,23)/p+1/t12-/m0/s1
Definition date:	2015-08-03
Last modified:	2024-09-27
Release date:	2018-03-14
Identifier:	N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine

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