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KNA

KNA
Name:	nonanoic acid
Formula:	C9 H18 O2
SMILES:	O=C(O)CCCCCCCC
InChi:	InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
Definition date:	2011-09-30
Last modified:	2024-09-27
Identifier:	nonanoic acid

OAS

OAS
Name:	O-ACETYLSERINE
Formula:	C5 H9 N O4
SMILES:	O=C(OCC(N)C(=O)O)C
InChi:	InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
Definition date:	2000-02-01
Last modified:	2024-09-27
Identifier:	O-acetyl-L-serine

RY2

RY2
Name:	(3-(1H-tetrazol-5-yl)phenyl)boronic acid
Formula:	C7 H7 B N4 O2
SMILES:	OB(O)c1cccc(c1)c2n[nH]nn2
InChi:	InChI=1S/C7H7BN4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12)
Synonyms:	[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid
Definition date:	2020-10-31
Last modified:	2024-09-27
Release date:	2021-08-11
Identifier:	[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid

PXP

PXP
Name:	PYRIDOXINE-5'-PHOSPHATE
Formula:	C8 H12 N O6 P
SMILES:	O=P(O)(O)OCc1cnc(c(O)c1CO)C
InChi:	InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)
Definition date:	2000-12-12
Last modified:	2024-09-27
Identifier:	[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate

YFJ

YFJ
Name:	8-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Formula:	C16 H13 N3 O
SMILES:	O=C1NCCc2c1[nH]c3c2cccc3c4ccncc4
InChi:	InChI=1S/C16H13N3O/c20-16-15-13(6-9-18-16)12-3-1-2-11(14(12)19-15)10-4-7-17-8-5-10/h1-5,7-8,19H,6,9H2,(H,18,20)
Definition date:	2023-12-04
Last modified:	2024-09-27
Release date:	2024-10-02
Identifier:	8-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one

PXQ

PXQ
Name:	3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
Formula:	C33 H42 N4 O6
SMILES:	CC[CH]1[CH](C)C(=O)N=C1Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)CC)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C
InChi:	InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13,19-20,34-35H,7-12,14-15H2,1-6H3,(H,36,43)(H,38,39)(H,40,41)/b26-13-/t19-,20-/m1/s1
Definition date:	2020-05-01
Last modified:	2024-09-27
Release date:	2021-01-20
Identifier:	3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid

SCS

SCS
Name:	3-(ethyldisulfanyl)-L-alanine
Formula:	C5 H11 N O2 S2
SMILES:	O=C(O)C(N)CSSCC
InChi:	InChI=1S/C5H11NO2S2/c1-2-9-10-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-(ethyldisulfanyl)-L-alanine

URR

URR
Name:	N~2~-(ethoxycarbonyl)-N-{(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide
Formula:	C24 H37 N3 O9 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)S(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H37N3O9S2/c1-15(2)12-18(27-23(31)36-14-24(3,4)37(32)17-8-6-5-7-9-17)21(29)26-19(22(30)38(33,34)35)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,33,34,35)/t16-,18-,19-,22-,37?/m0/s1
Definition date:	2022-08-23
Last modified:	2024-09-27
Release date:	2022-09-07
Identifier:	(1S,2S)-2-[(N-{[2-(benzenesulfinyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

NH3

NH3
Name:	AMMONIA
Formula:	H3 N
SMILES:	N
InChi:	InChI=1S/H3N/h1H3
Definition date:	1999-09-30
Last modified:	2024-09-27
Identifier:	ammonia

OAX

OAX
Name:	4-chloranyl-N-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide
Formula:	C13 H15 Cl N2 O2
SMILES:	Clc1ccc(cc1)C(=O)NCN(CC2CC2)C=O
InChi:	InChI=1S/C13H15ClN2O2/c14-12-5-3-11(4-6-12)13(18)15-8-16(9-17)7-10-1-2-10/h3-6,9-10H,1-2,7-8H2,(H,15,18)
Definition date:	2019-09-11
Last modified:	2024-09-27
Release date:	2020-09-09
Identifier:	4-chloranyl-~{N}-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide

PXS

PXS
Name:	(2S)-propane-1,2-diyl dihexadecanoate
Formula:	C35 H68 O4
SMILES:	O=C(OC(C)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C35H68O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-34(36)38-32-33(3)39-35(37)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h33H,4-32H2,1-3H3/t33-/m0/s1
Definition date:	2009-09-25
Last modified:	2024-09-27
Identifier:	(2S)-propane-1,2-diyl dihexadecanoate

NH4

NH4
Name:	AMMONIUM ION
Formula:	H4 N
SMILES:	[NH4+]
InChi:	InChI=1S/H3N/h1H3/p+1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	ammonium

ZEU

ZEU
Name:	9-hydroxynonanoic acid
Formula:	C9 H18 O3
SMILES:	O=C(O)CCCCCCCCO
InChi:	InChI=1S/C9H18O3/c10-8-6-4-2-1-3-5-7-9(11)12/h10H,1-8H2,(H,11,12)
Definition date:	2012-12-18
Last modified:	2024-09-27
Release date:	2019-06-19
Identifier:	9-hydroxynonanoic acid

XA6

XA6
Name:	(2S)-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid
Formula:	C10 H12 N2 O3
SMILES:	N[CH](Cc1ccc(cc1)C(N)=O)C(O)=O
InChi:	InChI=1S/C10H12N2O3/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H2,12,13)(H,14,15)/t8-/m0/s1
Definition date:	2021-04-01
Last modified:	2024-09-27
Release date:	2021-12-15
Identifier:	(2~{S})-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid

VZT

VZT
Name:	bis(4-fluorophenyl)methyl (1R,2S,5R)-2-({(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
Formula:	C29 H33 F2 N3 O5
SMILES:	O=C1NCCC1CC(CO)NC(=O)C1C2C(CN1C(=O)OC(c1ccc(F)cc1)c1ccc(F)cc1)C2(C)C
InChi:	InChI=1S/C29H33F2N3O5/c1-29(2)22-14-34(24(23(22)29)27(37)33-21(15-35)13-18-11-12-32-26(18)36)28(38)39-25(16-3-7-19(30)8-4-16)17-5-9-20(31)10-6-17/h3-10,18,21-25,35H,11-15H2,1-2H3,(H,32,36)(H,33,37)/t18-,21+,22-,23-,24-/m0/s1
Definition date:	2023-09-21
Last modified:	2024-09-27
Release date:	2024-09-25
Identifier:	bis(4-fluorophenyl)methyl (1R,2S,5R)-2-({(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

SCU

SCU
Name:	N,N,N-TRIMETHYL-2-[(4-OXOBUTANOYL)OXY]ETHANAMINIUM
Formula:	C9 H18 N O3
SMILES:	O=CCCC(=O)OCC[N+](C)(C)C
InChi:	InChI=1S/C9H18NO3/c1-10(2,3)6-8-13-9(12)5-4-7-11/h7H,4-6,8H2,1-3H3/q+1
Synonyms:	SUCCINYLMONOCHOLINE
Definition date:	2006-06-14
Last modified:	2024-09-27
Identifier:	N,N,N-trimethyl-2-[(4-oxobutanoyl)oxy]ethanaminium

PXU

PXU
Name:	2-hydroxy-L-proline
Formula:	C5 H9 N O3
SMILES:	O=C(O)C1(O)NCCC1
InChi:	InChI=1S/C5H9NO3/c7-4(8)5(9)2-1-3-6-5/h6,9H,1-3H2,(H,7,8)/t5-/m1/s1
Definition date:	2012-10-03
Last modified:	2024-09-27
Release date:	2012-10-05
Identifier:	2-hydroxy-L-proline

T66

T66
Name:	2-AMINOETHYLLYSINE-CARBONYLMETHYLENE-THYMINE
Formula:	C15 H25 N5 O5
SMILES:	O=C(N(C(C(=O)O)CCCCN)CCN)CN1C=C(C(=O)NC1=O)C
InChi:	InChI=1S/C15H25N5O5/c1-10-8-19(15(25)18-13(10)22)9-12(21)20(7-6-17)11(14(23)24)4-2-3-5-16/h8,11H,2-7,9,16-17H2,1H3,(H,23,24)(H,18,22,25)/t11-/m1/s1
Definition date:	2003-02-19
Last modified:	2024-09-27
Identifier:	N~2~-(2-aminoethyl)-N~2~-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]-D-lysine

4LT

4LT
Name:	(2R)-2-fluoropropanoic acid
Formula:	C3 H5 F O2
SMILES:	C(C(C)F)(O)=O
InChi:	InChI=1S/C3H5FO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m1/s1
Definition date:	2015-12-29
Last modified:	2024-09-27
Release date:	2016-11-02
Identifier:	(2R)-2-fluoropropanoic acid

OAZ

OAZ
Name:	(2-azidophenyl)methyl hydrogen carbonate
Formula:	C8 H7 N3 O2
SMILES:	C(=O)(O)OCc1c(cccc1)N=[N+]=[N-]
InChi:	InChI=1S/C8H7N3O3/c9-11-10-7-4-2-1-3-6(7)5-14-8(12)13/h1-4H,5H2,(H,12,13)
Definition date:	2017-05-10
Last modified:	2024-09-27
Release date:	2017-12-20
Identifier:	(2-azidophenyl)methyl hydrogen carbonate

UED

UED
Name:	N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Formula:	C21 H31 N3 O5
SMILES:	C(OC(=O)NC(C(NC(CO)CC1C(NCC1)=O)=O)CC(C)C)c2ccccc2
InChi:	InChI=1S/C21H31N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,14,16-18,25H,8-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1
Synonyms:	GC373 bound form, GC376 bound form
Definition date:	2020-05-11
Last modified:	2024-09-27
Release date:	2020-05-20
Identifier:	N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

XA8

XA8
Name:	(1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C28 H42 F3 N5 O6
SMILES:	CC1(C)C2C(C(=O)NC(CN3CCCCC3=O)C(O)C(=O)N3CCC3)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChi:	InChI=1S/C28H42F3N5O6/c1-26(2,3)21(33-25(42)28(29,30)31)24(41)36-13-15-18(27(15,4)5)19(36)22(39)32-16(14-35-10-7-6-9-17(35)37)20(38)23(40)34-11-8-12-34/h15-16,18-21,38H,6-14H2,1-5H3,(H,32,39)(H,33,42)/t15-,16-,18-,19-,20+,21+/m0/s1
Definition date:	2022-11-08
Last modified:	2024-09-27
Release date:	2023-10-11
Identifier:	(1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

RJR

RJR
Name:	(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol
Formula:	C23 H37 N3 O5
SMILES:	O[CH]1C[CH](O)[CH](Cn2cc(CCCOCC34CC5CC(CC(C5)C3)C4)nn2)[CH](O)[CH]1O
InChi:	InChI=1S/C23H37N3O5/c27-19-7-20(28)22(30)21(29)18(19)12-26-11-17(24-25-26)2-1-3-31-13-23-8-14-4-15(9-23)6-16(5-14)10-23/h11,14-16,18-22,27-30H,1-10,12-13H2/t14-,15+,16-,18-,19-,20-,21+,22+,23-/m0/s1
Definition date:	2018-12-11
Last modified:	2024-09-27
Release date:	2019-03-27
Identifier:	(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol

V5N

V5N
Name:	(2S,3S)-2-azanyl-3-(1H-imidazol-5-yl)-3-oxidanyl-propanoic acid
Formula:	C6 H9 N3 O3
SMILES:	N[CH]([CH](O)c1[nH]cnc1)C(O)=O
InChi:	InChI=1S/C6H9N3O3/c7-4(6(11)12)5(10)3-1-8-2-9-3/h1-2,4-5,10H,7H2,(H,8,9)(H,11,12)/t4-,5+/m0/s1
Definition date:	2021-04-19
Last modified:	2024-09-27
Release date:	2021-06-02
Identifier:	(2~{S},3~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)-3-oxidanyl-propanoic acid

URV

URV
Name:	[(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid
Formula:	C6 H14 N2 O2
SMILES:	CC(C)[CH](N)CNC(O)=O
InChi:	InChI=1S/C6H14N2O2/c1-4(2)5(7)3-8-6(9)10/h4-5,8H,3,7H2,1-2H3,(H,9,10)/t5-/m1/s1
Definition date:	2019-10-12
Last modified:	2024-09-27
Release date:	2021-02-17
Identifier:	[(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid

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