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MAN

MAN
Name:	alpha-D-mannopyranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC(O)C1O)CO
InChi:	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
Synonyms:	alpha-D-mannose
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	alpha-D-mannopyranose

P7E

P7E
Name:	4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde
Formula:	C13 H16 N2 O4 S
SMILES:	CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C13H16N2O4S/c1-11(17)14-6-8-15(9-7-14)20(18,19)13-4-2-12(10-16)3-5-13/h2-5,10H,6-9H2,1H3
Definition date:	2020-04-16
Last modified:	2024-09-27
Release date:	2020-09-23
Identifier:	4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde

WWB

WWB
Name:	5-(3-methylbut-2-en-1-yl)-L-tryptophan
Formula:	C16 H20 N2 O2
SMILES:	O=C(O)C(N)Cc1c[NH]c2ccc(cc21)CC=C(/C)C
InChi:	InChI=1S/C16H20N2O2/c1-10(2)3-4-11-5-6-15-13(7-11)12(9-18-15)8-14(17)16(19)20/h3,5-7,9,14,18H,4,8,17H2,1-2H3,(H,19,20)/t14-/m0/s1
Definition date:	2023-10-16
Last modified:	2024-09-27
Release date:	2024-09-25
Identifier:	5-(3-methylbut-2-en-1-yl)-L-tryptophan

U1P

U1P
Name:	6-[(E)-iminomethyl]uridine 5'-phosphate
Formula:	C10 H14 N3 O9 P
SMILES:	O=C1NC(=O)N(C(C=[N@H])=C1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C10H14N3O9P/c11-2-4-1-6(14)12-10(17)13(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1-2,5,7-9,11,15-16H,3H2,(H,12,14,17)(H2,18,19,20)/b11-2+/t5-,7-,8-,9-/m1/s1
Definition date:	2008-10-23
Last modified:	2024-09-27
Identifier:	6-[(E)-iminomethyl]uridine 5'-(dihydrogen phosphate)

L4F

L4F
Name:	2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate
Formula:	C41 H49 N7 O6 S
SMILES:	NC(=N)Nc1ccc(cc1)C(=O)OCCN2CCN(CC2)C(=O)N[CH](Cc3ccccc3)C(=O)N[CH](CCc4ccccc4)CC[S](=O)(=O)c5ccccc5
InChi:	InChI=1S/C41H49N7O6S/c42-40(43)45-34-20-17-33(18-21-34)39(50)54-28-27-47-23-25-48(26-24-47)41(51)46-37(30-32-12-6-2-7-13-32)38(49)44-35(19-16-31-10-4-1-5-11-31)22-29-55(52,53)36-14-8-3-9-15-36/h1-15,17-18,20-21,35,37H,16,19,22-30H2,(H,44,49)(H,46,51)(H4,42,43,45)/t35-,37-/m0/s1
Definition date:	2022-11-10
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate

TN7

TN7
Name:	ethyl hydrogen ethylamidophosphate
Formula:	C4 H12 N O3 P
SMILES:	O=P(O)(OCC)NCC
InChi:	InChI=1S/C4H12NO3P/c1-3-5-9(6,7)8-4-2/h3-4H2,1-2H3,(H2,5,6,7)
Definition date:	2009-05-12
Last modified:	2024-09-27
Identifier:	ethyl hydrogen ethylamidophosphate

MP8

MP8
Name:	(4R)-4-methyl-L-proline
Formula:	C6 H11 N O2
SMILES:	O=C(O)C1NCC(C)C1
InChi:	InChI=1S/C6H11NO2/c1-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1
Definition date:	2009-08-18
Last modified:	2024-09-27
Identifier:	(4R)-4-methyl-L-proline

ORT

ORT
Name:	(4~{S})-4-azanyl-5-oxidanylidene-pentanehydrazide
Formula:	C5 H11 N3 O3
SMILES:	NNC(=O)CC[CH](N)C(O)=O
InChi:	InChI=1S/C5H11N3O3/c6-3(5(10)11)1-2-4(9)8-7/h3H,1-2,6-7H2,(H,8,9)(H,10,11)/t3-/m0/s1
Definition date:	2020-04-01
Last modified:	2024-09-27
Release date:	2020-07-01
Identifier:	(2~{S})-2-azanyl-5-diazanyl-5-oxidanylidene-pentanoic acid

MAO

MAO
Name:	5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL) AMINO]ADENOSINE
Formula:	C13 H21 N7 O4
SMILES:	n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN(CCON)C)N
InChi:	InChI=1S/C13H21N7O4/c1-19(2-3-23-15)4-7-9(21)10(22)13(24-7)20-6-18-8-11(14)16-5-17-12(8)20/h5-7,9-10,13,21-22H,2-4,15H2,1H3,(H2,14,16,17)/t7-,9-,10-,13-/m1/s1
Definition date:	2001-03-12
Last modified:	2024-09-27
Identifier:	5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxyadenosine

U1R

U1R
Name:	5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde
Formula:	C17 H12 Br N O2
SMILES:	O=Cc1ncc(Br)cc1OCc1cc2ccccc2cc1
InChi:	InChI=1S/C17H12BrNO2/c18-15-8-17(16(10-20)19-9-15)21-11-12-5-6-13-3-1-2-4-14(13)7-12/h1-10H,11H2
Definition date:	2022-08-02
Last modified:	2024-09-27
Release date:	2023-06-28
Identifier:	5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde

MPA

MPA
Name:	(1R)-MENTHYL HEXYL PHOSPHONATE GROUP
Formula:	C16 H33 O3 P
SMILES:	O=P(OC1CC(CCC1C(C)C)C)(O)CCCCCC
InChi:	InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl hydrogen (S)-hexylphosphonate

VME

VME
Name:	METHYL L-VALINATE
Formula:	C6 H13 N O2
SMILES:	O=C(OC)C(N)C(C)C
InChi:	InChI=1S/C6H13NO2/c1-4(2)5(7)6(8)9-3/h4-5H,7H2,1-3H3/t5-/m0/s1
Synonyms:	O-METHYLVALINE
Definition date:	2006-11-11
Last modified:	2024-09-27
Identifier:	methyl L-valinate

LW1

LW1
Name:	thiophene-2-carbaldehyde
Formula:	C5 H4 O S
SMILES:	C(c1cccs1)=O
InChi:	InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H
Definition date:	2018-04-20
Last modified:	2024-09-27
Release date:	2019-06-12
Identifier:	thiophene-2-carbaldehyde

ORW

ORW
Name:	1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea
Formula:	C17 H27 N5 O2
SMILES:	CC(C)C[CH](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C=N
InChi:	InChI=1S/C17H27N5O2/c1-13(2)10-15(16(23)22(4)21(3)12-18)20-17(24)19-11-14-8-6-5-7-9-14/h5-9,12-13,15,18H,10-11H2,1-4H3,(H2,19,20,24)/b18-12-/t15-/m0/s1
Definition date:	2020-04-01
Last modified:	2024-09-27
Release date:	2020-12-16
Identifier:	1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea

ORX

ORX
Name:	N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-ORNITHINE
Formula:	C13 H22 N3 O7 P
SMILES:	O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCN
InChi:	InChI=1S/C13H22N3O7P/c1-8-12(17)10(6-16-11(13(18)19)3-2-4-14)9(5-15-8)7-23-24(20,21)22/h5,11,16-17H,2-4,6-7,14H2,1H3,(H,18,19)(H2,20,21,22)/t11-/m1/s1
Definition date:	2003-02-10
Last modified:	2024-09-27
Identifier:	N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-ornithine

K9W

K9W
Name:	(2~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
Formula:	C21 H24 N4 O
SMILES:	NC[CH](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[CH]3CCCN3
InChi:	InChI=1S/C21H24N4O/c22-13-16-5-9-18(10-6-16)17-7-3-15(4-8-17)12-19(14-23)25-21(26)20-2-1-11-24-20/h3-10,19-20,24H,1-2,11-12,14,23H2,(H,25,26)/t19-,20-/m0/s1
Definition date:	2019-05-08
Last modified:	2024-09-27
Release date:	2019-08-28
Identifier:	(2~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide

MPC

MPC
Name:	(1S)-MENTHYL HEXYL PHOSPHONATE GROUP
Formula:	C16 H33 O3 P
SMILES:	O=P(OC1CC(CCC1C(C)C)C)(O)CCCCCC
InChi:	InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl hydrogen (S)-hexylphosphonate

MPE

MPE
Name:	(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-ACETIC ACID
Formula:	C12 H14 N2 O3 S
SMILES:	O=C(O)C(c2c1ccccc1nc2)NOCCS
InChi:	InChI=1S/C12H14N2O3S/c15-12(16)11(14-17-5-6-18)9-7-13-10-4-2-1-3-8(9)10/h1-4,7,11,13-14,18H,5-6H2,(H,15,16)/t11-/m1/s1
Definition date:	2002-07-03
Last modified:	2024-09-27
Identifier:	(2R)-1H-indol-3-yl[(2-sulfanylethoxy)amino]ethanoic acid

K9Z

K9Z
Name:	(2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C21 H24 N4 O2
SMILES:	NC[CH](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[CH]3C[CH](O)CN3
InChi:	InChI=1S/C21H24N4O2/c22-11-15-3-7-17(8-4-15)16-5-1-14(2-6-16)9-18(12-23)25-21(27)20-10-19(26)13-24-20/h1-8,18-20,24,26H,9-10,12-13,23H2,(H,25,27)/t18-,19-,20-/m0/s1
Definition date:	2019-05-08
Last modified:	2024-09-27
Release date:	2019-08-28
Identifier:	(2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide

LW6

LW6
Name:	1H-indole-4-carbaldehyde
Formula:	C9 H7 N O
SMILES:	O=Cc1cccc2[NH]ccc12
InChi:	InChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-6,10H
Definition date:	2023-08-15
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	1H-indole-4-carbaldehyde

SU8

SU8
Name:	(2R)-2-butylbutanedioic acid
Formula:	C8 H14 O4
SMILES:	O=C(O)C(CC(=O)O)CCCC
InChi:	InChI=1S/C8H14O4/c1-2-3-4-6(8(11)12)5-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)/t6-/m1/s1
Synonyms:	(2R)-2-butylsuccinic acid
Definition date:	2014-07-25
Last modified:	2024-09-27
Release date:	2014-08-20
Identifier:	(2R)-2-butylbutanedioic acid

LW8

LW8
Name:	trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium
Formula:	C9 H16 N3 O2 S
SMILES:	C[N+](C)(C)[CH](CC1=CNC(=S)N1)C(O)=O
InChi:	InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1
Definition date:	2019-08-30
Last modified:	2024-09-27
Release date:	2020-08-26
Identifier:	trimethyl-[(2~{S})-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium

VMM

VMM
Name:	ETX0462 (Bound form)
Formula:	C10 H16 N6 O7 S
SMILES:	c12cnn(C)c1C(C(NC)=NO)N(C(=O)O)CC2NOS(=O)(O)=O
InChi:	InChI=1S/C10H16N6O7S/c1-11-9(13-19)8-7-5(3-12-15(7)2)6(4-16(8)10(17)18)14-23-24(20,21)22/h3,6,8,14,19H,4H2,1-2H3,(H,11,13)(H,17,18)(H,20,21,22)/t6-,8-/m0/s1
Synonyms:	(4R,7S)-7-(N'-hydroxy-N-methylcarbamimidoyl)-1-methyl-4-[(sulfooxy)amino]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylic acid
Definition date:	2020-08-27
Last modified:	2024-09-27
Release date:	2021-05-26
Identifier:	(4R,7S)-7-(N'-hydroxy-N-methylcarbamimidoyl)-1-methyl-4-[(sulfooxy)amino]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylic acid

MAY

MAY
Name:	METHYL ARACHIDONYL FLUOROPHOSPHONATE
Formula:	C21 H36 F O2 P
SMILES:	FP(=O)(OC)CCCCC=C/CC=C/CC=C/CC=C/CCCCC
InChi:	InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-/t25-/m0/s1
Synonyms:	MAFP
Definition date:	2002-10-01
Last modified:	2024-09-27
Identifier:	methyl (S)-(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-ylphosphonofluoridate

TNI

TNI
Name:	5-bromo-3-[(3-bromo-4-chlorophenyl)methoxy]pyridine-2-carbaldehyde
Formula:	C13 H8 Br2 Cl N O2
SMILES:	O=Cc1ncc(Br)cc1OCc1ccc(Cl)c(Br)c1
InChi:	InChI=1S/C13H8Br2ClNO2/c14-9-4-13(12(6-18)17-5-9)19-7-8-1-2-11(16)10(15)3-8/h1-6H,7H2
Definition date:	2022-07-27
Last modified:	2024-09-27
Release date:	2023-06-28
Identifier:	5-bromo-3-[(3-bromo-4-chlorophenyl)methoxy]pyridine-2-carbaldehyde

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