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MYA

MYA
Name:	TETRADECANOYL-COA
Formula:	C35 H62 N7 O17 P3 S
SMILES:	O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCCCCCCC
InChi:	InChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1
Synonyms:	MYRISTOYL-COA
Definition date:	2001-04-23
Last modified:	2024-09-27
Identifier:	S-{(3S,5R,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-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} tetradecanethioate (non-preferred name)

REC

REC
Name:	CEPHALOSPORIN
Formula:	C15 H21 N3 O7 S
SMILES:	O=C(O)C(N)CCCCC(=O)NC(C(=O)O)C1N=C(C(=C)CS1)C(=O)O
InChi:	InChI=1S/C15H21N3O7S/c1-7-6-26-12(18-10(7)14(22)23)11(15(24)25)17-9(19)5-3-2-4-8(16)13(20)21/h8,11-12H,1-6,16H2,(H,17,19)(H,20,21)(H,22,23)(H,24,25)/t8-,11+,12-/m1/s1
Synonyms:	(2R)-2-[(R)-{[(6R)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxy lic acid
Definition date:	2007-11-14
Last modified:	2024-09-27
Identifier:	(2R)-2-[(R)-{[(6R)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

LAL

LAL
Name:	N,N-DIMETHYL-L-ALANINE
Formula:	C5 H11 N O2
SMILES:	O=C(O)C(N(C)C)C
InChi:	InChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8)/t4-/m0/s1
Definition date:	2003-10-01
Last modified:	2024-09-27
Identifier:	N,N-dimethyl-L-alanine

RED

RED
Name:	DIHYDROLIPOIC ACID
Formula:	C8 H16 O2 S2
SMILES:	O=C(O)CCCCC(S)CCS
InChi:	InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)/t7-/m1/s1
Definition date:	2000-01-11
Last modified:	2024-09-27
Identifier:	(6R)-6,8-disulfanyloctanoic acid

Q7R

Q7R
Name:	1-[4-(diphenylmethyl)piperazin-1-yl]ethan-1-one
Formula:	C19 H22 N2 O
SMILES:	CC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
InChi:	InChI=1S/C19H22N2O/c1-16(22)20-12-14-21(15-13-20)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3
Definition date:	2023-08-18
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	1-[4-(diphenylmethyl)piperazin-1-yl]ethan-1-one

Q7S

Q7S
Name:	6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione
Formula:	C10 H14 N4 O4
SMILES:	C(=O)([C@H]=NC=1C(=O)NC(NC=1NCCCO)=O)C
InChi:	InChI=1S/C10H14N4O4/c1-6(16)5-12-7-8(11-3-2-4-15)13-10(18)14-9(7)17/h5,15H,2-4H2,1H3,(H3,11,13,14,17,18)/b12-5+
Definition date:	2019-10-01
Last modified:	2024-09-27
Release date:	2020-02-19
Identifier:	6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione

LP0

LP0
Name:	(7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid
Formula:	C10 H16 B N4 O9 P S
SMILES:	OP(O)(=O)OB(O)CNC(C(=N/OC(C)(C(O)=O)C)c1csc(n1)N)=O
InChi:	InChI=1S/C10H16BN4O9PS/c1-10(2,8(17)18)23-15-6(5-3-26-9(12)14-5)7(16)13-4-11(19)24-25(20,21)22/h3,19H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18)(H2,20,21,22)/b15-6-
Definition date:	2019-07-25
Last modified:	2024-09-27
Release date:	2020-10-21
Identifier:	(7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid

Q7T

Q7T
Name:	~{N}-(phenylmethyl)-2-selanyl-benzamide
Formula:	C14 H13 N O Se
SMILES:	[SeH]c1ccccc1C(=O)NCc2ccccc2
InChi:	InChI=1S/C14H13NOSe/c16-14(12-8-4-5-9-13(12)17)15-10-11-6-2-1-3-7-11/h1-9,17H,10H2,(H,15,16)
Definition date:	2020-05-26
Last modified:	2024-09-27
Release date:	2020-09-16
Identifier:	~{N}-(phenylmethyl)-2-selanyl-benzamide

RST

RST
Name:	3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose
Formula:	C6 H13 N O3
SMILES:	OC1C(OC(O)CC1N)C
InChi:	InChI=1S/C6H13NO3/c1-3-6(9)4(7)2-5(8)10-3/h3-6,8-9H,2,7H2,1H3/t3-,4+,5+,6-/m0/s1
Synonyms:	RISTOSAMINE
Definition date:	2002-09-02
Last modified:	2024-09-27
Identifier:	3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose

MYE

MYE
Name:	N2-({[(4-BROMOPHENYL)METHYL]OXY}CARBONYL)-N1-[(1S)-1-FORMYLPENTYL]-L-LEUCINAMIDE
Formula:	C20 H29 Br N2 O4
SMILES:	Brc1ccc(cc1)COC(=O)NC(C(=O)NC(C=O)CCCC)CC(C)C
InChi:	InChI=1S/C20H29BrN2O4/c1-4-5-6-17(12-24)22-19(25)18(11-14(2)3)23-20(26)27-13-15-7-9-16(21)10-8-15/h7-10,12,14,17-18H,4-6,11,13H2,1-3H3,(H,22,25)(H,23,26)/t17-,18-/m0/s1
Definition date:	2004-03-12
Last modified:	2024-09-27
Identifier:	N~2~-{[(4-bromobenzyl)oxy]carbonyl}-N-[(1S)-1-formylpentyl]-L-leucinamide

OZ9

OZ9
Name:	3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid
Formula:	C11 H16 B N O6 S
SMILES:	O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)O
InChi:	InChI=1S/C11H16BNO6S/c1-2-10(12(16)17)13-20(18,19)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16-17H,2,7H2,1H3,(H,14,15)/t10-/m0/s1
Definition date:	2022-05-19
Last modified:	2024-09-27
Release date:	2023-04-05
Identifier:	3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid

QN4

QN4
Name:	2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
Formula:	C13 H13 Cl N4 O4 S
SMILES:	C=2C=NN(CC(Nc1ccc(c(c1)S(N)(=O)=O)C)=O)C(C=2Cl)=O
InChi:	InChI=1S/C13H13ClN4O4S/c1-8-2-3-9(6-11(8)23(15,21)22)17-12(19)7-18-13(20)10(14)4-5-16-18/h2-6H,7H2,1H3,(H,17,19)(H2,15,21,22)
Definition date:	2019-11-22
Last modified:	2024-09-27
Release date:	2020-11-25
Identifier:	2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide

Q7W

Q7W
Name:	~{N}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide
Formula:	C14 H12 Cl N O Se
SMILES:	Clc1cccc(CNC(=O)c2ccccc2[SeH])c1
InChi:	InChI=1S/C14H12ClNOSe/c15-11-5-3-4-10(8-11)9-16-14(17)12-6-1-2-7-13(12)18/h1-8,18H,9H2,(H,16,17)
Definition date:	2020-05-26
Last modified:	2024-09-27
Release date:	2020-09-16
Identifier:	~{N}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide

LAS

LAS
Name:	N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine
Formula:	C15 H24 N2 O7 S
SMILES:	O=C1NC(C(=O)SCC(C(=O)O)NC(=O)C)(C(O)C1C)C(O)C(C)C
InChi:	InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9?,10+,11+,15-/m1/s1
Synonyms:	LACTACYSTIN
Definition date:	2008-07-10
Last modified:	2024-09-27
Identifier:	N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine

PF5

PF5
Name:	2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE
Formula:	C9 H6 F5 N O2
SMILES:	Fc1c(c(F)c(F)c(F)c1F)CC(C(=O)O)N
InChi:	InChI=1S/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1
Synonyms:	FLUORINATED PHENYLALANINE
Definition date:	2006-09-12
Last modified:	2024-09-27
Identifier:	2,3,4,5,6-pentafluoro-L-phenylalanine

LP6

LP6
Name:	6-piperidin-1-yl-L-norleucine
Formula:	C11 H22 N2 O2
SMILES:	O=C(O)C(N)CCCCN1CCCCC1
InChi:	InChI=1S/C11H22N2O2/c12-10(11(14)15)6-2-5-9-13-7-3-1-4-8-13/h10H,1-9,12H2,(H,14,15)/t10-/m0/s1
Definition date:	2009-01-06
Last modified:	2024-09-27
Identifier:	6-piperidin-1-yl-L-norleucine

OZD

OZD
Name:	6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione
Formula:	C9 H12 N4 O4
SMILES:	C(CO)NC=1NC(=O)NC(C=1N=CC(C)=O)=O
InChi:	InChI=1S/C9H12N4O4/c1-5(15)4-11-6-7(10-2-3-14)12-9(17)13-8(6)16/h4,14H,2-3H2,1H3,(H3,10,12,13,16,17)/b11-4+
Definition date:	2019-07-22
Last modified:	2024-09-27
Release date:	2020-02-19
Identifier:	6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione

MYK

MYK
Name:	N~6~-tetradecanoyl-L-lysine
Formula:	C20 H40 N2 O3
SMILES:	O=C(O)C(N)CCCCNC(=O)CCCCCCCCCCCCC
InChi:	InChI=1S/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-17-14-13-15-18(21)20(24)25/h18H,2-17,21H2,1H3,(H,22,23)(H,24,25)/t18-/m0/s1
Synonyms:	N6-myristoyl lysine
Definition date:	2011-10-17
Last modified:	2024-09-27
Identifier:	N~6~-tetradecanoyl-L-lysine

QN8

QN8
Name:	(2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one
Formula:	C8 H13 N O
SMILES:	C[CH]1N2CCC(CC2)C1=O
InChi:	InChI=1S/C8H13NO/c1-6-8(10)7-2-4-9(6)5-3-7/h6-7H,2-5H2,1H3/t6-/m1/s1
Definition date:	2020-07-08
Last modified:	2024-09-27
Release date:	2021-12-08
Identifier:	(2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one

LAV

LAV
Name:	N-[(2S)-2-amino-4-methylpentyl]-L-valine
Formula:	C11 H24 N2 O2
SMILES:	O=C(O)C(NCC(N)CC(C)C)C(C)C
InChi:	InChI=1S/C11H24N2O2/c1-7(2)5-9(12)6-13-10(8(3)4)11(14)15/h7-10,13H,5-6,12H2,1-4H3,(H,14,15)/t9-,10-/m0/s1
Definition date:	2010-10-28
Last modified:	2024-09-27
Identifier:	N-[(2S)-2-amino-4-methylpentyl]-L-valine

PF7

PF7
Name:	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
Formula:	C16 H18 N2 O2
SMILES:	O=C(O)N3CCC(Cc1cc2ccccc2nc1)CC3
InChi:	InChI=1S/C16H18N2O2/c19-16(20)18-7-5-12(6-8-18)9-13-10-14-3-1-2-4-15(14)17-11-13/h1-4,10-12H,5-9H2,(H,19,20)
Definition date:	2008-07-22
Last modified:	2024-09-27
Identifier:	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid

OZF

OZF
Name:	3-[(4S)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid
Formula:	C11 H17 B N O9 P S
SMILES:	O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)OP(=O)(O)O
InChi:	InChI=1S/C11H17BNO9PS/c1-2-10(12(16)22-23(17,18)19)13-24(20,21)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16H,2,7H2,1H3,(H,14,15)(H2,17,18,19)/t10-/m1/s1
Definition date:	2022-05-19
Last modified:	2024-09-27
Release date:	2023-04-05
Identifier:	3-[(4S)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid

Q81

Q81
Name:	1,3-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol
Formula:	C12 H18 N4 O6
SMILES:	N(C1=C(C(=O)NC(=O)N1)N=[C@H]C(C)=O)CC(O)CC(O)CO
InChi:	InChI=1S/C12H18N4O6/c1-6(18)3-13-9-10(15-12(22)16-11(9)21)14-4-7(19)2-8(20)5-17/h3,7-8,17,19-20H,2,4-5H2,1H3,(H3,14,15,16,21,22)/b13-3+/t7-,8+/m1/s1
Definition date:	2019-10-02
Last modified:	2024-09-27
Release date:	2020-02-19
Identifier:	1,3-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol

LPA

LPA
Name:	LIPOIC ACID
Formula:	C8 H14 O2 S2
SMILES:	O=C(O)CCCCC1SSCC1
InChi:	InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1
Synonyms:	5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid

1PN

1PN
Name:	prop-2-en-1-yl (2S)-2-[(2S,3R)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate
Formula:	C13 H17 N O5 S
SMILES:	O=C(OCC=C)C1=CSC(N1)C(C=O)C(OC(=O)C)C
InChi:	InChI=1S/C13H17NO5S/c1-4-5-18-13(17)11-7-20-12(14-11)10(6-15)8(2)19-9(3)16/h4,6-8,10,12,14H,1,5H2,2-3H3/t8-,10-,12+/m1/s1
Synonyms:	"(5S,6S)-6-[(R)ACETOXYETH-2-YL]-PENEM-3-CARBOXYLATEPROPANE, Bound form"
Definition date:	1999-12-02
Last modified:	2024-09-27
Identifier:	prop-2-en-1-yl (2S)-2-[(2S,3R)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate

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