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KCM

KCM
Name:	N-[(4S,5S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl]guanidine
Formula:	C13 H19 N5 O S
SMILES:	C(CCCNC(N)=N)(N)C(c1sc2c(n1)cccc2)O
InChi:	InChI=1S/C13H19N5OS/c14-8(4-3-7-17-13(15)16)11(19)12-18-9-5-1-2-6-10(9)20-12/h1-2,5-6,8,11,19H,3-4,7,14H2,(H4,15,16,17)/t8-,11-/m0/s1
Definition date:	2018-11-20
Last modified:	2024-09-27
Release date:	2019-10-02
Identifier:	N-[(4S,5S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl]guanidine

KCP

KCP
Name:	2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
Formula:	C14 H16 N2 O5 S2
SMILES:	O=C(O)C(NC(=O)Cc1sccc1)C2SCC(=C(N2)C(=O)O)C
InChi:	InChI=1S/C14H16N2O5S2/c1-7-6-23-12(16-10(7)13(18)19)11(14(20)21)15-9(17)5-8-3-2-4-22-8/h2-4,11-12,16H,5-6H2,1H3,(H,15,17)(H,18,19)(H,20,21)/t11-,12-/m0/s1
Synonyms:	HYDROLYZED CEPHALOTHIN
Definition date:	2002-02-07
Last modified:	2024-09-27
Identifier:	(2S)-2-{(R)-carboxy[(thiophen-2-ylacetyl)amino]methyl}-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

KCQ

KCQ
Name:	(3S)-3-[(2S)-2-AMINO-3-OXOBUTYL]PYRROLIDIN-2-ONE
Formula:	C8 H14 N2 O2
SMILES:	O=C1NCCC1CC(N)C(=O)C
InChi:	InChI=1S/C8H14N2O2/c1-5(11)7(9)4-6-2-3-10-8(6)12/h6-7H,2-4,9H2,1H3,(H,10,12)/t6-,7-/m0/s1
Definition date:	2007-06-07
Last modified:	2024-09-27
Identifier:	(3S)-3-[(2S)-2-amino-3-oxobutyl]pyrrolidin-2-one

420

420
Name:	N-[2-({[5-(DIMETHYLAMINO)NAPHTHALEN-1-YL]SULFONYL}AMINO)ETHYL]-2-IODOACETAMIDE
Formula:	C16 H20 I N3 O3 S
SMILES:	ICC(=O)NCCNS(=O)(=O)c1cccc2c1cccc2N(C)C
InChi:	InChI=1S/C16H20IN3O3S/c1-20(2)14-7-3-6-13-12(14)5-4-8-15(13)24(22,23)19-10-9-18-16(21)11-17/h3-8,19H,9-11H2,1-2H3,(H,18,21)
Definition date:	2009-10-19
Last modified:	2024-09-27
Identifier:	N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]-2-iodoacetamide

KCR

KCR
Name:	N-6-crotonyl-L-lysine
Formula:	C10 H18 N2 O3
SMILES:	NC(C(O)=O)CCCCNC(=O)[C@H]=[C@H]C
InChi:	InChI=1S/C10H18N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h2,5,8H,3-4,6-7,11H2,1H3,(H,12,13)(H,14,15)/b5-2+/t8-/m0/s1
Definition date:	2015-03-26
Last modified:	2024-09-27
Release date:	2015-09-16
Identifier:	N~6~-[(2E)-but-2-enoyl]-L-lysine

424

424
Name:	(2S,4R)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
Formula:	C25 H25 Cl2 N3 O4 S
SMILES:	O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(Cl)cc3)CC4)C5
InChi:	InChI=1S/C25H25Cl2N3O4S/c26-17-7-5-16(6-8-17)25(11-12-25)23(32)30-14-18(35(33,34)21-4-2-1-3-19(21)27)13-20(30)22(31)29-24(15-28)9-10-24/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1
Definition date:	2010-10-15
Last modified:	2024-09-27
Identifier:	(4R)-1-{[1-(4-chlorophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide

KCX

KCX
Name:	LYSINE NZ-CARBOXYLIC ACID
Formula:	C7 H14 N2 O4
SMILES:	O=C(O)NCCCCC(C(=O)O)N
InChi:	InChI=1S/C7H14N2O4/c8-5(6(10)11)3-1-2-4-9-7(12)13/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N~6~-carboxy-L-lysine

427

427
Name:	(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
Formula:	C10 H14 B N3 O3
SMILES:	OCC1OB(OC1)c2ccc(NC(=[N@H])N)cc2
InChi:	InChI=1S/C10H14BN3O3/c12-10(13)14-8-3-1-7(2-4-8)11-16-6-9(5-15)17-11/h1-4,9,15H,5-6H2,(H4,12,13,14)/t9-/m1/s1
Definition date:	2005-06-02
Last modified:	2024-09-27
Identifier:	1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}guanidine

KCY

KCY
Name:	D-homocysteine
Formula:	C4 H9 N O2 S
SMILES:	C(C(N)CCS)(=O)O
InChi:	InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1
Definition date:	2015-03-10
Last modified:	2024-09-27
Release date:	2015-04-15
Identifier:	D-homocysteine

KD7

KD7
Name:	N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide
Formula:	C33 H42 N8 O4 S2
SMILES:	C(=O)(CCc1ccccc1)NC(C(=O)NC(C(=O)NC(CCCNC(N)=N)C(c2sc3c(n2)cccc3)O)C(C)C)Cc4cscn4
InChi:	InChI=1S/C33H42N8O4S2/c1-20(2)28(41-30(44)25(17-22-18-46-19-37-22)38-27(42)15-14-21-9-4-3-5-10-21)31(45)39-24(12-8-16-36-33(34)35)29(43)32-40-23-11-6-7-13-26(23)47-32/h3-7,9-11,13,18-20,24-25,28-29,43H,8,12,14-17H2,1-2H3,(H,38,42)(H,39,45)(H,41,44)(H4,34,35,36)/t24-,25-,28-,29-/m0/s1
Definition date:	2018-11-20
Last modified:	2024-09-27
Release date:	2019-10-02
Identifier:	N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide

KDG

KDG
Name:	2-KETO-3-DEOXYGLUCONATE
Formula:	C6 H10 O6
SMILES:	O=C(C(=O)O)CC(O)C(O)CO
InChi:	InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m0/s1
Definition date:	2004-04-12
Last modified:	2024-09-27
Identifier:	3-deoxy-D-erythro-hex-2-ulosonic acid

KDP

KDP
Name:	2-KETO-DEOXY-GALACTOSE
Formula:	C6 H11 O9 P
SMILES:	O=P(O)(O)OCC(O)C(O)CC(=O)C(=O)O
InChi:	InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5-/m1/s1
Definition date:	2007-08-02
Last modified:	2024-09-27
Identifier:	3-deoxy-6-O-phosphono-D-threo-hex-2-ulosonic acid

42X

42X
Name:	N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide
Formula:	C14 H28 N3 O8 P
SMILES:	O=P(OCC(C(O)C(=O)NCCC(=O)NCCNC(=O)CC)(C)C)(O)O
InChi:	InChI=1S/C14H28N3O8P/c1-4-10(18)15-7-8-16-11(19)5-6-17-13(21)12(20)14(2,3)9-25-26(22,23)24/h12,20H,4-9H2,1-3H3,(H,15,18)(H,16,19)(H,17,21)(H2,22,23,24)/t12-/m0/s1
Definition date:	2015-01-23
Last modified:	2024-09-27
Release date:	2016-01-27
Identifier:	N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide

42Y

42Y
Name:	O-propanoyl-L-serine
Formula:	C6 H11 N O4
SMILES:	O=C(OCC(C(=O)O)N)CC
InChi:	InChI=1S/C6H11NO4/c1-2-5(8)11-3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
Definition date:	2015-01-23
Last modified:	2024-09-27
Release date:	2016-01-27
Identifier:	O-propanoyl-L-serine

432

432
Name:	O-butanoyl-L-serine
Formula:	C7 H13 N O4
SMILES:	O=C(OCC(C(=O)O)N)CCC
InChi:	InChI=1S/C7H13NO4/c1-2-3-6(9)12-4-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1
Definition date:	2015-01-23
Last modified:	2024-09-27
Release date:	2016-01-27
Identifier:	O-butanoyl-L-serine

KE1

KE1
Name:	meropenem, bound form
Formula:	C17 H27 N3 O5 S
SMILES:	C1(C)C(=C(NC1C(C=O)C(C)O)C(O)=O)SC2CNC(C2)C(N(C)C)=O
InChi:	InChI=1S/C17H27N3O5S/c1-8-13(11(7-21)9(2)22)19-14(17(24)25)15(8)26-10-5-12(18-6-10)16(23)20(3)4/h7-13,18-19,22H,5-6H2,1-4H3,(H,24,25)/t8-,9-,10-,11-,12-,13-/m1/s1
Synonyms:	(4R,5S)-3-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid
Definition date:	2018-11-27
Last modified:	2024-09-27
Release date:	2018-12-19
Identifier:	(4R,5S)-3-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid

KEO

KEO
Name:	e(R)-beta-lysyl-hydroxylysine
Formula:	C12 H26 N4 O4
SMILES:	NCCC[CH](N)CC(=O)NCC[CH](O)C[CH](N)C(O)=O
InChi:	InChI=1S/C12H26N4O4/c13-4-1-2-8(14)6-11(18)16-5-3-9(17)7-10(15)12(19)20/h8-10,17H,1-7,13-15H2,(H,16,18)(H,19,20)/t8-,9-,10-/m0/s1
Definition date:	2017-10-05
Last modified:	2024-09-27
Release date:	2017-11-22
Identifier:	(2~{S},4~{S})-2-azanyl-6-[[(3~{S})-3,6-bis(azanyl)hexanoyl]amino]-4-oxidanyl-hexanoic acid

KF2

KF2
Name:	[(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid
Formula:	C16 H26 N O3 P
SMILES:	CC(C)C[CH](C[P](O)(=O)[CH](N)CCc1ccccc1)C=O
InChi:	InChI=1S/C16H26NO3P/c1-13(2)10-15(11-18)12-21(19,20)16(17)9-8-14-6-4-3-5-7-14/h3-7,11,13,15-16H,8-10,12,17H2,1-2H3,(H,19,20)/t15-,16+/m0/s1
Definition date:	2019-05-16
Last modified:	2024-09-27
Release date:	2019-12-18
Identifier:	[(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid

KFB

KFB
Name:	5-Aminovaleric Acid
Formula:	C5 H11 N O2
SMILES:	NCCCCC(O)=O
InChi:	InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
Synonyms:	5-aminopentanoic acid
Definition date:	2019-05-17
Last modified:	2024-09-27
Release date:	2019-10-23
Identifier:	5-azanylpentanoic acid

44S

44S
Name:	2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose
Formula:	C6 H13 O8 P
SMILES:	O=P(O)(O)OCC(O)C1OC(O)CC1O
InChi:	InChI=1S/C6H13O8P/c7-3-1-5(9)14-6(3)4(8)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6-/m1/s1
Synonyms:	tagatose-6-phosphate, bound form
Definition date:	2015-02-11
Last modified:	2024-09-27
Release date:	2016-01-20
Identifier:	2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose

KFP

KFP
Name:	N~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-D-lysine
Formula:	C13 H19 N7 O3
SMILES:	O=C(O)C(N)CCCCNCc2nc1c(N=C(N)NC1=O)nc2
InChi:	InChI=1S/C13H19N7O3/c14-8(12(22)23)3-1-2-4-16-5-7-6-17-10-9(18-7)11(21)20-13(15)19-10/h6,8,16H,1-5,14H2,(H,22,23)(H3,15,17,19,20,21)/t8-/m1/s1
Definition date:	2013-03-25
Last modified:	2024-09-27
Release date:	2013-04-24
Identifier:	N~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-D-lysine

451

451
Name:	N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide
Formula:	C22 H27 N O7
SMILES:	O=C(Nc2ccc1OCCOCCOc3ccccc3OCCOCCOc1c2)C
InChi:	InChI=1S/C22H27NO7/c1-17(24)23-18-6-7-21-22(16-18)30-15-11-26-9-13-28-20-5-3-2-4-19(20)27-12-8-25-10-14-29-21/h2-7,16H,8-15H2,1H3,(H,23,24)
Synonyms:	N-(Dibenzo-18-crown-6-ether)-acetamide
Definition date:	2009-01-28
Last modified:	2024-09-27
Identifier:	N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide

45F

45F
Name:	(4S)-4-(prop-2-yn-1-yloxy)-L-proline
Formula:	C8 H11 N O3
SMILES:	O=C(O)C1NCC(OCC#C)C1
InChi:	InChI=1S/C8H11NO3/c1-2-3-12-6-4-7(8(10)11)9-5-6/h1,6-7,9H,3-5H2,(H,10,11)/t6-,7-/m0/s1
Definition date:	2015-02-09
Last modified:	2024-09-27
Release date:	2015-02-25
Identifier:	(4S)-4-(prop-2-yn-1-yloxy)-L-proline

KGC

KGC
Name:	N~6~-[(2R)-2-CARBOXY-5-OXOTETRAHYDROFURAN-2-YL]-L-LYSINE
Formula:	C11 H18 N2 O6
SMILES:	O=C(O)C1(OC(=O)CC1)NCCCCC(C(=O)O)N
InChi:	InChI=1S/C11H18N2O6/c12-7(9(15)16)3-1-2-6-13-11(10(17)18)5-4-8(14)19-11/h7,13H,1-6,12H2,(H,15,16)(H,17,18)/t7-,11+/m0/s1
Definition date:	2007-01-15
Last modified:	2024-09-27
Identifier:	N~6~-[(2R)-2-carboxy-5-oxotetrahydrofuran-2-yl]-L-lysine

KGH

KGH
Name:	(1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Formula:	C7 H15 N O5
SMILES:	N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO
InChi:	InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3-,4+,5+,6-,7+/m0/s1
Definition date:	2019-05-21
Last modified:	2024-09-27
Release date:	2020-07-08
Identifier:	(1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

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