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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

QSC

QSC
Name:	(1R)-1-phenylethanamine
Formula:	C8 H11 N
SMILES:	NC(c1ccccc1)C
InChi:	InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
Definition date:	2011-12-22
Last modified:	2024-09-27
Release date:	2012-11-16
Identifier:	(1R)-1-phenylethanamine

PLP

PLP
Name:	PYRIDOXAL-5'-PHOSPHATE
Formula:	C8 H10 N O6 P
SMILES:	O=P(O)(O)OCc1cnc(c(O)c1C=O)C
InChi:	InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
Synonyms:	VITAMIN B6 Phosphate
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate

AKZ

AKZ
Name:	(3S)-3-amino-4,4-dihydroxybutanoic acid
Formula:	C4 H9 N O4
SMILES:	O=C(O)CC(N)C(O)O
InChi:	InChI=1S/C4H9NO4/c5-2(4(8)9)1-3(6)7/h2,4,8-9H,1,5H2,(H,6,7)/t2-/m0/s1
Definition date:	2011-01-25
Last modified:	2024-09-27
Identifier:	(3S)-3-amino-4,4-dihydroxybutanoic acid

US9

US9
Name:	(3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
Formula:	C15 H19 F3 N2 O4 S
SMILES:	O=S(=O)(CC)N1CCCC(C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChi:	InChI=1S/C15H19F3N2O4S/c1-2-25(22,23)20-9-3-4-11(10-20)14(21)19-12-5-7-13(8-6-12)24-15(16,17)18/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)/t11-/m1/s1
Definition date:	2022-08-24
Last modified:	2024-09-27
Release date:	2023-05-10
Identifier:	(3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide

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

T7A

T7A
Name:	N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
Formula:	C10 H10 N2 O2 S
SMILES:	n2c1c(cccc1OC)sc2NC(C)=O
InChi:	InChI=1S/C10H10N2O2S/c1-6(13)11-10-12-9-7(14-2)4-3-5-8(9)15-10/h3-5H,1-2H3,(H,11,12,13)
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide

R7G

R7G
Name:	1-[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6 -dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid
Formula:	C27 H28 N8 O12 S
SMILES:	O=C1N(C(c2c1cc(c(c2)O)O)=O)CCNC(=O)C=3CN(NC=3C(O)=O)CC(C=O)NC(=O)C(=N/OC(C)(C)C(O)=O)c4csc(n4)N
InChi:	InChI=1S/C27H28N8O12S/c1-27(2,25(45)46)47-33-19(15-10-48-26(28)31-15)21(40)30-11(9-36)7-34-8-14(18(32-34)24(43)44)20(39)29-3-4-35-22(41)12-5-16(37)17(38)6-13(12)23(35)42/h5-6,9-11,32,37-38H,3-4,7-8H2,1-2H3,(H2,28,31)(H,29,39)(H,30,40)(H,43,44)(H,45,46)/b33-19-/t11-/m0/s1
Synonyms:	YU253434
Definition date:	2020-02-05
Last modified:	2024-09-27
Release date:	2020-05-13
Identifier:	1-[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid

PLR

PLR
Name:	(5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
Formula:	C8 H12 N O5 P
SMILES:	O=P(O)(O)OCc1cnc(c(O)c1C)C
InChi:	InChI=1S/C8H12NO5P/c1-5-7(4-14-15(11,12)13)3-9-6(2)8(5)10/h3,10H,4H2,1-2H3,(H2,11,12,13)
Synonyms:	4'-DEOXYPYRIDOXINE PHOSPHATE
Definition date:	2003-07-03
Last modified:	2024-09-27
Identifier:	(5-hydroxy-4,6-dimethylpyridin-3-yl)methyl dihydrogen phosphate

USA

USA
Name:	(E)-1-(1H-imidazol-2-yl)methanimine
Formula:	C4 H5 N3
SMILES:	n1ccnc1/C=N
InChi:	InChI=1S/C4H5N3/c5-3-4-6-1-2-7-4/h1-3,5H,(H,6,7)/b5-3+
Definition date:	2020-05-28
Last modified:	2024-09-27
Release date:	2020-06-10
Identifier:	(E)-1-(1H-imidazol-2-yl)methanimine

BDF

BDF
Name:	beta-D-fructopyranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)(OCC(O)C1O)CO
InChi:	InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
Synonyms:	beta-D-fructose
Definition date:	2002-11-01
Last modified:	2024-09-27
Identifier:	beta-D-fructopyranose

TNQ

TNQ
Name:	6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan
Formula:	C13 H15 N3 O5
SMILES:	NC(C(=O)O)Cc1cnc2c1ccc(c2O)NCC(=O)O
InChi:	InChI=1S/C13H15N3O5/c14-8(13(20)21)3-6-4-16-11-7(6)1-2-9(12(11)19)15-5-10(17)18/h1-2,4,8,15-16,19H,3,5,14H2,(H,17,18)(H,20,21)/t8-/m0/s1
Definition date:	2018-08-16
Last modified:	2024-09-27
Release date:	2019-01-16
Identifier:	6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan

PLS

PLS
Name:	[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
Formula:	C11 H17 N2 O8 P
SMILES:	O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CO
InChi:	InChI=1S/C11H17N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2,9,13-15H,3-5H2,1H3,(H,16,17)(H2,18,19,20)/t9-/m0/s1
Synonyms:	PYRIDOXYL-SERINE-5-MONOPHOSPHATE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-serine

P6N

P6N
Name:	(2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one
Formula:	C11 H12 O
SMILES:	C[CH]1CCc2ccccc2C1=O
InChi:	InChI=1S/C11H12O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5,8H,6-7H2,1H3/t8-/m0/s1
Definition date:	2020-04-16
Last modified:	2024-09-27
Release date:	2020-04-29
Identifier:	(2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one

VOD

VOD
Name:	(4-VINYLPHENYL)METHANESULFONIC ACID
Formula:	C9 H10 O3 S
SMILES:	O=S(=O)(O)Cc1ccc(cc1)C=C
InChi:	InChI=1S/C9H10O3S/c1-2-8-3-5-9(6-4-8)7-13(10,11)12/h2-6H,1,7H2,(H,10,11,12)
Definition date:	2014-05-09
Last modified:	2024-09-27
Release date:	2015-10-07
Identifier:	(4-ethenylphenyl)methanesulfonic acid

T7C

T7C
Name:	3-({2-[(2-amino-2-oxoethyl)amino]ethyl}sulfanyl)propanoic acid
Formula:	C7 H14 N2 O3 S
SMILES:	O=C(N)CNCCSCCC(=O)O
InChi:	InChI=1S/C7H14N2O3S/c8-6(10)5-9-2-4-13-3-1-7(11)12/h9H,1-5H2,(H2,8,10)(H,11,12)
Definition date:	2022-07-19
Last modified:	2024-09-27
Release date:	2023-05-24
Identifier:	3-({2-[(2-amino-2-oxoethyl)amino]ethyl}sulfanyl)propanoic acid

USC

USC
Name:	5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
Formula:	C9 H9 N O6 S
SMILES:	O=S(=O)(Nc1cc(cc(c1)C(=O)O)C(=O)O)C
InChi:	InChI=1S/C9H9NO6S/c1-17(15,16)10-7-3-5(8(11)12)2-6(4-7)9(13)14/h2-4,10H,1H3,(H,11,12)(H,13,14)
Definition date:	2011-12-08
Last modified:	2024-09-27
Release date:	2013-01-11
Identifier:	5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid

T7D

T7D
Name:	N-(1-acetylpiperidin-4-yl)benzamide
Formula:	C14 H18 N2 O2
SMILES:	N(C1CCN(CC1)C(C)=O)C(c2ccccc2)=O
InChi:	InChI=1S/C14H18N2O2/c1-11(17)16-9-7-13(8-10-16)15-14(18)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,15,18)
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	N-(1-acetylpiperidin-4-yl)benzamide

NXA

NXA
Name:	N-CARBOXYALANINE
Formula:	C4 H7 N O4
SMILES:	O=C(O)C(NC(=O)O)C
InChi:	InChI=1S/C4H7NO4/c1-2(3(6)7)5-4(8)9/h2,5H,1H3,(H,6,7)(H,8,9)/t2-/m0/s1
Definition date:	2002-11-26
Last modified:	2024-09-27
Identifier:	N-carboxy-L-alanine

OBS

OBS
Name:	(Z)-N^6-[(4S,5R)-5-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)-1-HYDROXYDIHYDRO-2H-THIOPYRANIUM-3(4H)-YLIDENE]-L-LYSINE
Formula:	C16 H26 N2 O7 S
SMILES:	O=S1C/C(=N/CCCCC(C(=O)O)N)C(C(CCC(=O)O)C1)CC(=O)O
InChi:	InChI=1S/C16H26N2O7S/c17-12(16(23)24)3-1-2-6-18-13-9-26(25)8-10(4-5-14(19)20)11(13)7-15(21)22/h10-12H,1-9,17H2,(H,19,20)(H,21,22)(H,23,24)/b18-13-/t10-,11-,12+,26+/m1/s1
Synonyms:	2-AMINO-6-[5-(2-CARBOXY-ETHYL)-4-CARBOXYMETHYL-1-OXO-TETRAHYDRO-1LAMBDA4-THIOPYRAN-3-YLIDENEAMINO]-HEXANOIC ACID
Definition date:	2005-09-11
Last modified:	2024-09-27
Identifier:	(E)-N~6~-[(1S,4R,5S)-5-(2-carboxyethyl)-4-(carboxymethyl)-1-oxidodihydro-2H-thiopyran-3(4H)-ylidene]-L-lysine

USD

USD
Name:	(E)-1-(pyrimidin-2-yl)methanimine
Formula:	C5 H5 N3
SMILES:	n1cccnc1/C=N
InChi:	InChI=1S/C5H5N3/c6-4-5-7-2-1-3-8-5/h1-4,6H/b6-4+
Definition date:	2020-05-28
Last modified:	2024-09-27
Release date:	2020-06-10
Identifier:	(E)-1-(pyrimidin-2-yl)methanimine

ORD

ORD
Name:	D-ORNITHINE
Formula:	C5 H12 N2 O2
SMILES:	O=C(O)C(N)CCCN
InChi:	InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1
Definition date:	2010-09-08
Last modified:	2024-09-27
Identifier:	D-ornithine

SE
Name:	SELENIUM ATOM
Formula:	Se
SMILES:	[Se]
InChi:	InChI=1S/H2Se/h1H2
Definition date:	2000-08-08
Last modified:	2024-09-27
Identifier:	hydrogen selenide

T7G

T7G
Name:	1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
Formula:	C14 H18 N2 O3
SMILES:	N2(CCC(C(Nc1ccccc1O)=O)CC2)C(C)=O
InChi:	InChI=1S/C14H18N2O3/c1-10(17)16-8-6-11(7-9-16)14(19)15-12-4-2-3-5-13(12)18/h2-5,11,18H,6-9H2,1H3,(H,15,19)
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide

NHN

NHN
Name:	(6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE
Formula:	C42 H56 N6 O9
SMILES:	O=C(N(C)C)C(c1ccccc1)NC(=O)CNC(=O)C(=O)C(NC(=O)C2N3C(=O)C(NC(=O)CCc4cccc(OCCOC(C2)C3)c4)C5CCCCC5)CCC
InChi:	InChI=1S/C42H56N6O9/c1-4-12-32(38(51)40(53)43-25-35(50)46-36(41(54)47(2)3)28-14-7-5-8-15-28)44-39(52)33-24-31-26-48(33)42(55)37(29-16-9-6-10-17-29)45-34(49)20-19-27-13-11-18-30(23-27)56-21-22-57-31/h5,7-8,11,13-15,18,23,29,31-33,36-37H,4,6,9-10,12,16-17,19-22,24-26H2,1-3H3,(H,43,53)(H,44,52)(H,45,49)(H,46,50)/t31-,32+,33+,36+,37+/m1/s1
Definition date:	2006-05-11
Last modified:	2024-09-27
Identifier:	(6R,8S,11S)-11-cyclohexyl-N-[(1S)-1-{[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}butyl]-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.1~6,9~]henicosa-1(20),16,18-triene-8-carboxamide

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