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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

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

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

5DP

5DP
Name:	5-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-{2-[(4-O-alpha-D-idopyranosyl-alpha-D-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide
Formula:	C27 H46 N2 O16
SMILES:	O=C1N(C(=O)CC1)CCCCC(=O)NCCOCCOCCOC3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
InChi:	InChI=1S/C27H46N2O16/c30-13-15-20(35)21(36)23(38)27(43-15)45-25-16(14-31)44-26(24(39)22(25)37)42-12-11-41-10-9-40-8-6-28-17(32)3-1-2-7-29-18(33)4-5-19(29)34/h15-16,20-27,30-31,35-39H,1-14H2,(H,28,32)/t15-,16-,20+,21-,22-,23+,24+,25-,26+,27-/m1/s1
Definition date:	2008-03-13
Last modified:	2024-09-27
Identifier:	5-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-{2-[(4-O-alpha-D-idopyranosyl-alpha-D-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide

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

5GF

5GF
Name:	5-fluoro-beta-D-glucopyranose
Formula:	C6 H11 F O6
SMILES:	FC1(OC(O)C(O)C(O)C1O)CO
InChi:	InChI=1S/C6H11FO6/c7-6(1-8)4(11)2(9)3(10)5(12)13-6/h2-5,8-12H,1H2/t2-,3-,4+,5-,6-/m1/s1
Synonyms:	5-fluoro-beta-D-glucose
Definition date:	2012-09-09
Last modified:	2024-09-27
Release date:	2012-11-09
Identifier:	(2R,3R,4R,5S,6S)-6-fluoro-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name)

KJW

KJW
Name:	(d)3-hydroxy-Leucine
Formula:	C6 H13 N O3
SMILES:	CC(C)[CH](O)[CH](N)C(O)=O
InChi:	InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5+/m1/s1
Definition date:	2019-05-28
Last modified:	2024-09-27
Release date:	2020-07-08
Identifier:	(2~{R},3~{S})-2-azanyl-4-methyl-3-oxidanyl-pentanoic acid

0XO

0XO
Name:	2-methyl-D-lysine
Formula:	C7 H16 N2 O2
SMILES:	O=C(O)C(N)(CCCCN)C
InChi:	InChI=1S/C7H16N2O2/c1-7(9,6(10)11)4-2-3-5-8/h2-5,8-9H2,1H3,(H,10,11)/t7-/m1/s1
Definition date:	2012-08-29
Last modified:	2024-09-27
Release date:	2014-02-19
Identifier:	2-methyl-D-lysine

0XY

0XY
Name:	5-fluoro-N-acetyl-alpha-D-glucosamine
Formula:	C8 H14 F N O6
SMILES:	FC1(OC(O)C(NC(=O)C)C(O)C1O)CO
InChi:	InChI=1S/C8H14FNO6/c1-3(12)10-4-5(13)6(14)8(9,2-11)16-7(4)15/h4-7,11,13-15H,2H2,1H3,(H,10,12)/t4-,5-,6+,7?,8-/m1/s1
Synonyms:	N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide
Definition date:	2012-09-05
Last modified:	2024-09-27
Release date:	2012-12-14
Identifier:	N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)

KKR

KKR
Name:	1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4- dione
Formula:	C30 H35 N7 O3 S
SMILES:	O=C(C=C(/C)C)CCC(=O)N1CCN(CC1)Cc3sc2c(nc(nc2c3)c5cccc4nncc45)N6CCOCC6
InChi:	InChI=1S/C30H35N7O3S/c1-20(2)16-21(38)6-7-27(39)36-10-8-35(9-11-36)19-22-17-26-28(41-22)30(37-12-14-40-15-13-37)33-29(32-26)23-4-3-5-25-24(23)18-31-34-25/h3-5,16-18H,6-15,19H2,1-2H3,(H,31,34)
Synonyms:	1-[4-[[2-(1H-indazol-4-yl)-4-morpholinthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4-dione
Definition date:	2013-01-09
Last modified:	2024-09-27
Release date:	2013-02-08
Identifier:	1-(4-{[2-(1H-indazol-4-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-6-methylhept-5-ene-1,4-dione

0YT

0YT
Name:	2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose
Formula:	C8 H15 N O5 S
SMILES:	O=C(NC1C(O)C(O)C(SC1O)CO)C
InChi:	InChI=1S/C8H15NO5S/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
Synonyms:	2-(acetylamino)-2-deoxy-5-thio-beta-D-glucopyranose
Definition date:	2012-09-18
Last modified:	2024-09-27
Release date:	2012-10-26
Identifier:	2-(acetylamino)-2-deoxy-5-thio-beta-D-glucopyranose

0Z6

0Z6
Name:	D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide
Formula:	C25 H36 Cl N6 O3
SMILES:	ClCC(O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[NH2+])N
InChi:	InChI=1S/C25H35ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-22,33H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/p+1/t19-,20+,21+,22-/m1/s1
Synonyms:	FFRCK
Definition date:	2008-07-30
Last modified:	2024-09-27
Identifier:	D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide

0Z7

0Z7
Name:	N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide
Formula:	C27 H38 Cl N6 O4
SMILES:	C(C(C(NC(C(NC(C(NC(=O)C)Cc1ccccc1)=O)Cc2ccccc2)=O)CCCNC(=N)N)O)Cl
InChi:	InChI=1S/C27H37ClN6O4/c1-18(35)32-22(15-19-9-4-2-5-10-19)25(37)34-23(16-20-11-6-3-7-12-20)26(38)33-21(24(36)17-28)13-8-14-31-27(29)30/h2-7,9-12,21-24,36H,8,13-17H2,1H3,(H,32,35)(H,33,38)(H,34,37)(H4,29,30,31)/p+1/t21-,22+,23-,24+/m0/s1
Definition date:	2015-04-10
Last modified:	2024-09-27
Release date:	2015-12-29
Identifier:	N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide

0ZJ

0ZJ
Name:	N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
Formula:	C23 H36 Cl N6 O4 S
SMILES:	O=C(NC(CCCNC(=[NH2+])N)C(O)CCl)C2N(C(=O)C(NC(=O)CS)Cc1ccccc1)CCC2
InChi:	InChI=1S/C23H35ClN6O4S/c24-13-19(31)16(8-4-10-27-23(25)26)29-21(33)18-9-5-11-30(18)22(34)17(28-20(32)14-35)12-15-6-2-1-3-7-15/h1-3,6-7,16-19,31,35H,4-5,8-14H2,(H,28,32)(H,29,33)(H4,25,26,27)/p+1/t16-,17+,18-,19+/m0/s1
Synonyms:	ATA-FPR-CH2Cl
Definition date:	2008-08-05
Last modified:	2024-09-27
Identifier:	N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide

0ZZ

0ZZ
Name:	5-S-benzyl-3-({N-[(5-bromo-2-methoxyphenyl)acetyl]-L-valyl}amino)-2,3-dideoxy-5-thio-D-erythro-pentonic acid
Formula:	C26 H33 Br N2 O6 S
SMILES:	Brc1cc(c(OC)cc1)CC(=O)NC(C(=O)NC(CC(=O)O)C(O)CSCc2ccccc2)C(C)C
InChi:	InChI=1S/C26H33BrN2O6S/c1-16(2)25(29-23(31)12-18-11-19(27)9-10-22(18)35-3)26(34)28-20(13-24(32)33)21(30)15-36-14-17-7-5-4-6-8-17/h4-11,16,20-21,25,30H,12-15H2,1-3H3,(H,28,34)(H,29,31)(H,32,33)/t20-,21+,25-/m0/s1
Definition date:	2008-08-15
Last modified:	2024-09-27
Identifier:	5-S-benzyl-3-({N-[(5-bromo-2-methoxyphenyl)acetyl]-L-valyl}amino)-2,3-dideoxy-5-thio-D-erythro-pentonic acid

KPS

KPS
Name:	pseudouridine 5'-phosphate, linear
Formula:	C9 H15 N2 O9 P
SMILES:	O=C1C(=CNC(=O)N1)CC(O)C(O)C(O)COP(=O)(O)O
InChi:	InChI=1S/C9H15N2O9P/c12-5(1-4-2-10-9(16)11-8(4)15)7(14)6(13)3-20-21(17,18)19/h2,5-7,12-14H,1,3H2,(H2,17,18,19)(H2,10,11,15,16)/t5-,6+,7-/m0/s1
Synonyms:	1-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol
Definition date:	2012-08-16
Last modified:	2024-09-27
Release date:	2012-10-26
Identifier:	1-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol

13J

13J
Name:	3-{4-amino-1-[(3S)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide
Formula:	C29 H33 N7 O2
SMILES:	O=C(Nc1ccc(cc1)C(C)C)c5cccc(c3nn(c2ncnc(c23)N)C4CCCN(C(=O)CC)C4)c5
InChi:	InChI=1S/C29H33N7O2/c1-4-24(37)35-14-6-9-23(16-35)36-28-25(27(30)31-17-32-28)26(34-36)20-7-5-8-21(15-20)29(38)33-22-12-10-19(11-13-22)18(2)3/h5,7-8,10-13,15,17-18,23H,4,6,9,14,16H2,1-3H3,(H,33,38)(H2,30,31,32)/t23-/m0/s1
Definition date:	2012-10-03
Last modified:	2024-09-27
Release date:	2012-11-09
Identifier:	3-{4-amino-1-[(3S)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide

13L

13L
Name:	3-{4-amino-1-[(3R)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide
Formula:	C29 H33 N7 O2
SMILES:	O=C(Nc1ccc(cc1)C(C)C)c5cccc(c3nn(c2ncnc(c23)N)C4CCCN(C(=O)CC)C4)c5
InChi:	InChI=1S/C29H33N7O2/c1-4-24(37)35-14-6-9-23(16-35)36-28-25(27(30)31-17-32-28)26(34-36)20-7-5-8-21(15-20)29(38)33-22-12-10-19(11-13-22)18(2)3/h5,7-8,10-13,15,17-18,23H,4,6,9,14,16H2,1-3H3,(H,33,38)(H2,30,31,32)/t23-/m1/s1
Definition date:	2012-10-03
Last modified:	2024-09-27
Release date:	2012-11-09
Identifier:	3-{4-amino-1-[(3R)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide

IOY

IOY
Name:	P-IODO-D-PHENYLALANINE
Formula:	C9 H10 I N O2
SMILES:	Ic1ccc(cc1)CC(C(=O)O)N
InChi:	InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
Synonyms:	4-IODOPHENYLALANINE
Definition date:	2004-09-14
Last modified:	2024-09-27
Identifier:	4-iodo-D-phenylalanine

IPD

IPD
Name:	D-MYO-INOSITOL-1-PHOSPHATE
Formula:	C6 H11 O9 P
SMILES:	O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O
InChi:	InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4-,5-,6-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate

17K

17K
Name:	(3R)-N-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-D-valine
Formula:	C22 H22 N2 O7 S
SMILES:	O=C(O)C(Nc2c(cc1ccccn12)C=O)C(S(=O)O)(C)COC(=O)Cc3ccccc3
InChi:	InChI=1S/C22H22N2O7S/c1-22(32(29)30,14-31-18(26)11-15-7-3-2-4-8-15)19(21(27)28)23-20-16(13-25)12-17-9-5-6-10-24(17)20/h2-10,12-13,19,23H,11,14H2,1H3,(H,27,28)(H,29,30)/t19-,22-/m0/s1
Synonyms:	penam sulfone SA1-204, open form
Definition date:	2012-10-26
Last modified:	2024-09-27
Release date:	2013-07-31
Identifier:	(3R)-N-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-D-valine

J0B

J0B
Name:	1-[(3~{R})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one
Formula:	C13 H17 I N6 O
SMILES:	CCC(=O)N1CCC[CH](C1)n2nc(I)c3c(N)ncnc23
InChi:	InChI=1S/C13H17IN6O/c1-2-9(21)19-5-3-4-8(6-19)20-13-10(11(14)18-20)12(15)16-7-17-13/h7-8H,2-6H2,1H3,(H2,15,16,17)/t8-/m1/s1
Definition date:	2019-01-10
Last modified:	2024-09-27
Release date:	2019-05-22
Identifier:	1-[(3~{R})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one

J0E

J0E
Name:	1-[(3~{R})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
Formula:	C19 H22 N6 O2
SMILES:	CCC(=O)N1CCC[CH](C1)n2nc(c3ccc(O)cc3)c4c(N)ncnc24
InChi:	InChI=1S/C19H22N6O2/c1-2-15(27)24-9-3-4-13(10-24)25-19-16(18(20)21-11-22-19)17(23-25)12-5-7-14(26)8-6-12/h5-8,11,13,26H,2-4,9-10H2,1H3,(H2,20,21,22)/t13-/m1/s1
Definition date:	2019-01-10
Last modified:	2024-09-27
Release date:	2019-05-22
Identifier:	1-[(3~{R})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one

630

630
Name:	1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one
Formula:	C19 H24 Cl N7 O3
SMILES:	N(c1cn(nc1)C)c3nc(OCC2C(CN(C(CC)=O)C2)OC)c4c(n3)ncc4Cl
InChi:	InChI=1S/C19H24ClN7O3/c1-4-15(28)27-7-11(14(9-27)29-3)10-30-18-16-13(20)6-21-17(16)24-19(25-18)23-12-5-22-26(2)8-12/h5-6,8,11,14H,4,7,9-10H2,1-3H3,(H2,21,23,24,25)/t11-,14+/m1/s1
Synonyms:	Bound form of PF-06459988
Definition date:	2016-01-18
Last modified:	2024-09-27
Release date:	2016-01-27
Identifier:	1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one

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238582

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