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9VP

9VP
Name:	5-acetamido-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid
Formula:	C11 H18 F N O7
SMILES:	OC(=O)C1C(F)CC(C(O1)C(O)C(CO)O)NC(=O)C
InChi:	InChI=1S/C11H18FNO7/c1-4(15)13-6-2-5(12)9(11(18)19)20-10(6)8(17)7(16)3-14/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7-,8-,9+,10-/m1/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid
Definition date:	2017-06-15
Last modified:	2024-09-27
Release date:	2018-02-21
Identifier:	5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid

P1K

P1K
Name:	phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid
Formula:	C6 H11 B F3 N4 O7 P S
SMILES:	OB(Cn1cc(CN[S](=O)(=O)CC(F)(F)F)nn1)O[P](O)(O)=O
InChi:	InChI=1S/C6H11BF3N4O7PS/c8-6(9,10)3-23(19,20)11-1-5-2-14(13-12-5)4-7(15)21-22(16,17)18/h2,11,15H,1,3-4H2,(H2,16,17,18)
Definition date:	2019-08-16
Last modified:	2024-09-27
Release date:	2020-06-24
Identifier:	phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid

P1L

P1L
Name:	S-PALMITOYL-L-CYSTEINE
Formula:	C19 H37 N O3 S
SMILES:	O=C(O)C(N)CSC(=O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C19H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h17H,2-16,20H2,1H3,(H,22,23)/t17-/m0/s1
Definition date:	2005-09-03
Last modified:	2024-09-27
Identifier:	S-hexadecanoyl-L-cysteine

P1T

P1T
Name:	2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID
Formula:	C11 H15 N2 O7 P
SMILES:	O=P(O)(O)OCc1cnc(c(O)c1CNC(=C)/C(=O)O)C
InChi:	InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,13-14H,2,4-5H2,1H3,(H,15,16)(H2,17,18,19)
Definition date:	2006-09-05
Last modified:	2024-09-27
Identifier:	2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]prop-2-enoic acid

P1V

P1V
Name:	(2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid
Formula:	C9 H16 N4 O2
SMILES:	Cc1[nH]nc(CCCC[CH](N)C(O)=O)n1
InChi:	InChI=1S/C9H16N4O2/c1-6-11-8(13-12-6)5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,14,15)(H,11,12,13)/t7-/m0/s1
Definition date:	2022-09-29
Last modified:	2024-09-27
Release date:	2023-01-11
Identifier:	(2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid

P2J

P2J
Name:	9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine
Formula:	C19 H31 N7 O5
SMILES:	c2nc(N)c3ncn(C1OC(C(O)C1O)CN(CCC(C(O)=O)N)CCCCC)c3n2
InChi:	InChI=1S/C19H31N7O5/c1-2-3-4-6-25(7-5-11(20)19(29)30)8-12-14(27)15(28)18(31-12)26-10-24-13-16(21)22-9-23-17(13)26/h9-12,14-15,18,27-28H,2-8,20H2,1H3,(H,29,30)(H2,21,22,23)/t11-,12-,14-,15+,18-/m0/s1
Definition date:	2019-07-25
Last modified:	2024-09-27
Release date:	2020-08-19
Identifier:	9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine

9XX

9XX
Name:	(2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate
Formula:	C38 H74 O4
SMILES:	C(CCC(OC(COC(CCCCCCCCCCCCCCC)=O)C)=O)CCCCCC(CCCCCCCC)C
InChi:	InChI=1S/C38H74O4/c1-5-7-9-11-13-14-15-16-17-18-19-24-28-32-37(39)41-34-36(4)42-38(40)33-29-25-21-20-23-27-31-35(3)30-26-22-12-10-8-6-2/h35-36H,5-34H2,1-4H3/t35-,36-/m0/s1
Synonyms:	(S)-1-(palmitoyloxy)propan-2-yl (S)-10-methyloctadecanoate
Definition date:	2018-08-29
Last modified:	2024-09-27
Release date:	2018-11-14
Identifier:	(2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate

P2Q

P2Q
Name:	2-hydroxy-5-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1yl]amino}-L-tyrosine
Formula:	C20 H22 N2 O6
SMILES:	N[CH](Cc1cc(N[CH](C=O)C=CCOc2ccccc2)c(O)cc1O)C(O)=O
InChi:	InChI=1S/C20H22N2O6/c21-16(20(26)27)9-13-10-17(19(25)11-18(13)24)22-14(12-23)5-4-8-28-15-6-2-1-3-7-15/h1-7,10-12,14,16,22,24-25H,8-9,21H2,(H,26,27)/b5-4+/t14-,16-/m0/s1
Synonyms:	3-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1-yl]amino}-6-hydroxy-L-tyrosine
Definition date:	2009-11-10
Last modified:	2024-09-27
Identifier:	(2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E,2S)-1-oxo-5-phenoxy-pent-3-en-2-yl]amino]phenyl]propanoic acid

9YZ

9YZ
Name:	methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
Formula:	C13 H16 N2 O3
SMILES:	CCC(=O)N1CCN(C(=O)OC)c2ccccc12
InChi:	InChI=1S/C13H16N2O3/c1-3-12(16)14-8-9-15(13(17)18-2)11-7-5-4-6-10(11)14/h4-7H,3,8-9H2,1-2H3
Definition date:	2017-08-05
Last modified:	2024-09-27
Release date:	2018-03-14
Identifier:	methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate

P3Q

P3Q
Name:	2-hydroxy-5-{[(1E)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-L-tyrosine
Formula:	C21 H24 N2 O5
SMILES:	N[CH](Cc1cc(NC(CCCc2ccccc2)=CC=O)c(O)cc1O)C(O)=O
InChi:	InChI=1S/C21H24N2O5/c22-17(21(27)28)11-15-12-18(20(26)13-19(15)25)23-16(9-10-24)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,17,23,25-26H,4,7-8,11,22H2,(H,27,28)/b16-9+/t17-/m0/s1
Definition date:	2009-11-19
Last modified:	2024-09-27
Identifier:	(2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E)-1-oxo-6-phenyl-hex-2-en-3-yl]amino]phenyl]propanoic acid

9Z2

9Z2
Name:	~{N}-(4-pyrimidin-2-ylphenyl)propanamide
Formula:	C13 H13 N3 O
SMILES:	CCC(=O)Nc1ccc(cc1)c2ncccn2
InChi:	InChI=1S/C13H13N3O/c1-2-12(17)16-11-6-4-10(5-7-11)13-14-8-3-9-15-13/h3-9H,2H2,1H3,(H,16,17)
Definition date:	2017-08-05
Last modified:	2024-09-27
Release date:	2018-08-29
Identifier:	~{N}-(4-pyrimidin-2-ylphenyl)propanamide

9Z4

9Z4
Name:	4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide
Formula:	C18 H19 N5 O2
SMILES:	c21n(ccc1)ncc(c2NCc3cccc(c3)NC(=O)CC)C(N)=O
InChi:	InChI=1S/C18H19N5O2/c1-2-16(24)22-13-6-3-5-12(9-13)10-20-17-14(18(19)25)11-21-23-8-4-7-15(17)23/h3-9,11,20H,2,10H2,1H3,(H2,19,25)(H,22,24)
Synonyms:	4-({[3-(acryloylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide bound form
Definition date:	2017-07-12
Last modified:	2024-09-27
Release date:	2017-10-04
Identifier:	4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide

P3T

P3T
Name:	(4-{[(4-AMINOBUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
Formula:	C12 H22 N3 O5 P
SMILES:	O=P(O)(O)OCc1cnc(c(O)c1CNCCCCN)C
InChi:	InChI=1S/C12H22N3O5P/c1-9-12(16)11(7-14-5-3-2-4-13)10(6-15-9)8-20-21(17,18)19/h6,14,16H,2-5,7-8,13H2,1H3,(H2,17,18,19)
Synonyms:	PHOSPHORIC ACID MONO-{4-[(4-AMINO-BUTYLAMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER
Definition date:	2007-05-16
Last modified:	2024-09-27
Identifier:	(4-{[(4-aminobutyl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate

9ZB

9ZB
Name:	1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
Formula:	C13 H18 N2 O
SMILES:	CCN1CCN(C(=O)CC)c2ccccc12
InChi:	InChI=1S/C13H18N2O/c1-3-13(16)15-10-9-14(4-2)11-7-5-6-8-12(11)15/h5-8H,3-4,9-10H2,1-2H3
Definition date:	2017-08-05
Last modified:	2024-09-27
Release date:	2018-08-29
Identifier:	1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one

9ZG

9ZG
Name:	(phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
Formula:	C20 H26 N4 O3
SMILES:	CN(CN)N(C)C(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2
InChi:	InChI=1S/C20H26N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-15,21H2,1-2H3,(H,22,26)/t18-/m0/s1
Definition date:	2021-11-22
Last modified:	2024-09-27
Release date:	2022-01-26
Identifier:	(phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

P4E

P4E
Name:	(2S,4E)-2-amino-5-phenylpent-4-enoic acid
Formula:	C11 H13 N O2
SMILES:	O=C(O)C(N)C/C=C/c1ccccc1
InChi:	InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m0/s1
Definition date:	2011-10-13
Last modified:	2024-09-27
Identifier:	(2S,4E)-2-amino-5-phenylpent-4-enoic acid

A01

A01
Name:	[(2,6-DIMETHOXYPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
Formula:	C10 H15 B N O6
SMILES:	COc1cccc(OC)c1C(=O)NC[B-](O)(O)O
InChi:	InChI=1S/C10H15BNO6/c1-17-7-4-3-5-8(18-2)9(7)10(13)12-6-11(14,15)16/h3-5,14-16H,6H2,1-2H3,(H,12,13)/q-1
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	[(2,6-dimethoxyphenyl)carbonylamino]methyl-trihydroxy-boron

P5F

P5F
Name:	N-propargylglycine-modified flavin adenine dinucleotide
Formula:	C32 H40 N10 O17 P2
SMILES:	Cc1cc2c(cc1C)n(C=CC=NCC(O)=O)c3C(=O)NC(=O)Nc3n2C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56
InChi:	InChI=1S/C32H40N10O17P2/c1-14-6-16-17(7-15(14)2)41(29-23(30(50)39-32(51)38-29)40(16)5-3-4-34-8-21(45)46)9-18(43)24(47)19(44)10-56-60(52,53)59-61(54,55)57-11-20-25(48)26(49)31(58-20)42-13-37-22-27(33)35-12-36-28(22)42/h3-7,12-13,18-20,24-26,31,43-44,47-49H,8-11H2,1-2H3,(H,45,46)(H,52,53)(H,54,55)(H2,33,35,36)(H2,38,39,50,51)/b5-3+,34-4?/t18-,19+,20+,24-,25+,26+,31+/m0/s1
Definition date:	2013-11-25
Last modified:	2024-09-27
Release date:	2014-02-19
Identifier:	2-[3-[10-[(2S,3S,4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-5-yl]prop-2-enylideneamino]ethanoic acid

A0U

A0U
Name:	~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate
Formula:	C16 H24 N4 O3
SMILES:	CN(Cc1ccccc1)C(=O)CN(NC(=O)OC(C)(C)C)C=N
InChi:	InChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)18-20(12-17)11-14(21)19(4)10-13-8-6-5-7-9-13/h5-9,12,17H,10-11H2,1-4H3,(H,18,22)/b17-12+
Definition date:	2021-11-23
Last modified:	2024-09-27
Release date:	2022-01-26
Identifier:	~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate

A0V

A0V
Name:	1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
Formula:	C4 H7 B N3 O7 P
SMILES:	C(B(OP(O)(O)=O)O)n1nnc(c1)C(O)=O
InChi:	InChI=1S/C4H7BN3O7P/c9-4(10)3-1-8(7-6-3)2-5(11)15-16(12,13)14/h1,11H,2H2,(H,9,10)(H2,12,13,14)
Definition date:	2017-07-05
Last modified:	2024-09-27
Release date:	2017-12-06
Identifier:	1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid

A0Y

A0Y
Name:	phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid
Formula:	C9 H10 B F3 N5 O7 P S
SMILES:	OB(CN[S](=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)O[P](O)(O)=O
InChi:	InChI=1S/C9H10BF3N5O7PS/c11-9(12,13)6-3-5(8-15-17-18-16-8)1-2-7(6)27(23,24)14-4-10(19)25-26(20,21)22/h1-3,14,19H,4H2,(H2,20,21,22)(H,15,16,17,18)
Definition date:	2017-07-05
Last modified:	2024-09-27
Release date:	2017-12-06
Identifier:	phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid

A0Z

A0Z
Name:	8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid
Formula:	C15 H16 I4 N2 O2
SMILES:	OC(=O)CCCCCCCn1cnc2c(I)c(I)c(I)c(I)c12
InChi:	InChI=1S/C15H16I4N2O2/c16-10-11(17)13(19)15-14(12(10)18)20-8-21(15)7-5-3-1-2-4-6-9(22)23/h8H,1-7H2,(H,22,23)
Definition date:	2017-08-09
Last modified:	2024-09-27
Release date:	2020-01-29
Identifier:	8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid

P5P

P5P
Name:	PURINE RIBOSIDE-5'-MONOPHOSPHATE
Formula:	C10 H13 N4 O7 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1cncnc12)C(O)C3O
InChi:	InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine

A16

A16
Name:	4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranosyl)-beta-D-glucopyranose
Formula:	C19 H35 N O13
SMILES:	OC3C(OC2OC(C)C(NC1CC(CO)C(O)C(O)C1O)C(O)C2O)C(OC(O)C3O)CO
InChi:	InChI=1S/C19H35NO13/c1-5-9(20-7-2-6(3-21)10(23)13(26)11(7)24)12(25)16(29)19(31-5)33-17-8(4-22)32-18(30)15(28)14(17)27/h5-30H,2-4H2,1H3/t5-,6-,7+,8-,9-,10-,11+,12+,13+,14-,15-,16-,17-,18-,19-/m1/s1
Definition date:	2008-03-26
Last modified:	2024-09-27
Identifier:	4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranosyl)-beta-D-glucopyranose

P5U

P5U
Name:	O-[(4-cyanophenyl)sulfonyl]-L-serine
Formula:	C10 H10 N2 O5 S
SMILES:	NC(C(=O)O)COS(c1ccc(cc1)C#N)(=O)=O
InChi:	InChI=1S/C10H10N2O5S/c11-5-7-1-3-8(4-2-7)18(15,16)17-6-9(12)10(13)14/h1-4,9H,6,12H2,(H,13,14)/t9-/m0/s1
Definition date:	2018-06-28
Last modified:	2024-09-27
Release date:	2019-07-03
Identifier:	O-[(4-cyanophenyl)sulfonyl]-L-serine

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