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262

262
Name:	2-FORMYLPHENYL DIHYDROGEN PHOSPHATE
Formula:	C7 H7 O5 P
SMILES:	O=P(Oc1ccccc1C=O)(O)O
InChi:	InChI=1S/C7H7O5P/c8-5-6-3-1-2-4-7(6)12-13(9,10)11/h1-5H,(H2,9,10,11)
Synonyms:	RU78262
Definition date:	2003-06-20
Last modified:	2024-09-27
Identifier:	2-formylphenyl dihydrogen phosphate

AQR

AQR
Name:	(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
Formula:	C29 H38 O4
SMILES:	C1=C2C(C(C)=C(C1=O)O)=CC=C3C4(C(CCC23C)(C5C(CC4)(CCC(C5)(C(=O)O)C)C)C)C
InChi:	InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
Definition date:	2018-11-20
Last modified:	2024-09-27
Release date:	2022-12-28
Identifier:	(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid

26J

26J
Name:	2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one, bound form
Formula:	C20 H25 F3 N4 O2 S
SMILES:	FC(F)(F)c2cc(c1SC(=NC(=O)c1c2)N4CCN(CC3CCCCC3)CC4)NO
InChi:	InChI=1S/C20H25F3N4O2S/c21-20(22,23)14-10-15-17(16(11-14)25-29)30-19(24-18(15)28)27-8-6-26(7-9-27)12-13-4-2-1-3-5-13/h10-11,13,25,29H,1-9,12H2
Definition date:	2013-08-30
Last modified:	2024-09-27
Release date:	2014-02-19
Identifier:	2-[4-(cyclohexylmethyl)piperazin-1-yl]-8-(hydroxyamino)-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one

AR0

AR0
Name:	4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-D-erythro-hexitol
Formula:	C14 H25 N5 O3
SMILES:	O=C(O)Cc1cc[n+](cc1)CC(O)C(N)CCCNC(=[NH2+])N
InChi:	InChI=1S/C14H23N5O3/c15-11(2-1-5-18-14(16)17)12(20)9-19-6-3-10(4-7-19)8-13(21)22/h3-4,6-7,11-12,20H,1-2,5,8-9,15H2,(H4-,16,17,18,21,22)/p+2/t11-,12+/m0/s1
Definition date:	2010-09-17
Last modified:	2024-09-27
Identifier:	4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-D-erythro-hexitol

AR7

AR7
Name:	amino{[(4S)-4-amino-5,5-dihydroxypentyl]amino}methaniminium
Formula:	C6 H17 N4 O2
SMILES:	OC(O)C(N)CCCNC(=[NH2+])N
InChi:	InChI=1S/C6H16N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4-5,11-12H,1-3,7H2,(H4,8,9,10)/p+1/t4-/m0/s1
Definition date:	2010-09-24
Last modified:	2024-09-27
Identifier:	amino{[(4S)-4-amino-5,5-dihydroxypentyl]amino}methaniminium

26X

26X
Name:	1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide
Formula:	C27 H27 N7 O2
SMILES:	CCC(=O)N1CC(C1)n2cc(c3ccncc3)c(n2)c4cccc(NC(=O)c5cn(cn5)C6CC6)c4
InChi:	InChI=1S/C27H27N7O2/c1-2-25(35)32-13-22(14-32)34-15-23(18-8-10-28-11-9-18)26(31-34)19-4-3-5-20(12-19)30-27(36)24-16-33(17-29-24)21-6-7-21/h3-5,8-12,15-17,21-22H,2,6-7,13-14H2,1H3,(H,30,36)
Definition date:	2023-07-11
Last modified:	2024-09-27
Release date:	2024-06-05
Identifier:	1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide

ARA

ARA
Name:	alpha-L-arabinopyranose
Formula:	C5 H10 O5
SMILES:	OC1C(O)COC(O)C1O
InChi:	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m0/s1
Synonyms:	alpha-L-arabinose
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	alpha-L-arabinopyranose

271

271
Name:	N-methyl-1-phenylmethanamine
Formula:	C8 H11 N
SMILES:	N(C)Cc1ccccc1
InChi:	InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
Definition date:	2007-10-10
Last modified:	2024-09-27
Identifier:	N-methyl-1-phenylmethanamine

ARF

ARF
Name:	FORMAMIDE
Formula:	C H3 N O
SMILES:	O=CN
InChi:	InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
Definition date:	2006-09-21
Last modified:	2024-09-27
Identifier:	formamide

ARG

ARG
Name:	ARGININE
Formula:	C6 H15 N4 O2
SMILES:	O=C(O)C(N)CCCNC(=[NH2+])N
InChi:	InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	amino{[(4S)-4-amino-4-carboxybutyl]amino}methaniminium

27C

27C
Name:	5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinofuranose
Formula:	C9 H18 F O7 P
SMILES:	FC1C(O)C(OC1O)COP(=O)(OCCCC)O
InChi:	InChI=1S/C9H18FO7P/c1-2-3-4-15-18(13,14)16-5-6-8(11)7(10)9(12)17-6/h6-9,11-12H,2-5H2,1H3,(H,13,14)/t6-,7+,8-,9+/m1/s1
Synonyms:	Inhibitor CZ-27 based on arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form
Definition date:	2011-05-11
Last modified:	2024-09-27
Identifier:	5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinofuranose

ARM

ARM
Name:	DEOXY-METHYL-ARGININE
Formula:	C7 H16 N4 O
SMILES:	O=C(C)C(N)CCCNC(=[N@H])N
InChi:	InChI=1S/C7H16N4O/c1-5(12)6(8)3-2-4-11-7(9)10/h6H,2-4,8H2,1H3,(H4,9,10,11)/t6-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	1-[(4S)-4-amino-5-oxohexyl]guanidine

ARN

ARN
Name:	1-IMINO-5-PENTANONE
Formula:	C5 H9 N O
SMILES:	O=CCCCC=[N@H]
InChi:	InChI=1S/C5H9NO/c6-4-2-1-3-5-7/h4-6H,1-3H2
Definition date:	1999-09-22
Last modified:	2024-09-27
Identifier:	(5E)-5-iminopentanal

ARO

ARO
Name:	C-GAMMA-HYDROXY ARGININE
Formula:	C6 H15 N4 O3
SMILES:	O=C(O)C(N)CC(O)CNC(N)=[NH2+]
InChi:	InChI=1S/C6H14N4O3/c7-4(5(12)13)1-3(11)2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/p+1/t3-,4+/m1/s1
Definition date:	2000-09-05
Last modified:	2024-09-27
Identifier:	amino{[(2R,4S)-4-amino-2,5-dihydroxy-5-oxopentyl]amino}methaniminium

AS2

AS2
Name:	(2R)-2-AMINO-4-OXOBUTANOIC ACID
Formula:	C4 H7 N O3
SMILES:	O=CCC(N)C(=O)O
InChi:	InChI=1S/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m1/s1
Synonyms:	ASPARTATE SEMIALDEHYDE
Definition date:	2003-07-10
Last modified:	2024-09-27
Identifier:	(2R)-2-amino-4-oxobutanoic acid

ASA

ASA
Name:	ASPARTIC ALDEHYDE
Formula:	C4 H7 N O3
SMILES:	O=CC(N)CC(=O)O
InChi:	InChI=1S/C4H7NO3/c5-3(2-6)1-4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3S)-3-amino-4-oxobutanoic acid

ASB

ASB
Name:	ASPARTIC ACID-4-CARBOXYMETHYL ESTER
Formula:	C6 H9 N O6
SMILES:	O=C(OCC(=O)O)CC(C(=O)O)N
InChi:	InChI=1S/C6H9NO6/c7-3(6(11)12)1-5(10)13-2-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-4-(carboxymethoxy)-4-oxobutanoic acid (non-preferred name)

ASD

ASD
Name:	4-ANDROSTENE-3-17-DIONE
Formula:	C19 H26 O2
SMILES:	O=C3CCC4C2C(C1(C(=CC(=O)CC1)CC2)C)CCC34C
InChi:	InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
Definition date:	2000-02-23
Last modified:	2024-09-27
Identifier:	androst-4-ene-3,17-dione

289

289
Name:	D-glycero-alpha-D-manno-heptopyranose
Formula:	C7 H14 O7
SMILES:	OC1C(O)C(OC(O)C1O)C(O)CO
InChi:	InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3+,4+,5+,6-,7+/m1/s1
Synonyms:	D-glycero-alpha-D-manno-heptose
Definition date:	2007-11-09
Last modified:	2024-09-27
Identifier:	D-glycero-alpha-D-manno-heptopyranose

ASJ

ASJ
Name:	(3S)-3-amino-4-hydroxybutanoic acid
Formula:	C4 H9 N O3
SMILES:	O=C(O)CC(N)CO
InChi:	InChI=1S/C4H9NO3/c5-3(2-6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
Definition date:	2010-10-07
Last modified:	2024-09-27
Identifier:	(3S)-3-amino-4-hydroxybutanoic acid

ASL

ASL
Name:	ASPARTIC ACID-4-CARBOXYETHYL ESTER
Formula:	C7 H11 N O6
SMILES:	O=C(OC(C(=O)O)C)CC(C(=O)O)N
InChi:	InChI=1S/C7H11NO6/c1-3(6(10)11)14-5(9)2-4(8)7(12)13/h3-4H,2,8H2,1H3,(H,10,11)(H,12,13)
Definition date:	1999-09-09
Last modified:	2024-09-27
Identifier:	2-amino-4-(1-carboxyethoxy)-4-oxobutanoic acid (non-preferred name)

ASN

ASN
Name:	ASPARAGINE
Formula:	C4 H8 N2 O3
SMILES:	O=C(N)CC(N)C(=O)O
InChi:	InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	L-asparagine

28D

28D
Name:	(2Z)-2-(1H-1,2,4-triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enenitrile
Formula:	C21 H18 N6 O3
SMILES:	N#C/C(n1ncnc1)=C/c2cc3c(cc2)nnc3c4cc(OC)c(OC)c(OC)c4
InChi:	InChI=1S/C21H18N6O3/c1-28-18-8-14(9-19(29-2)21(18)30-3)20-16-7-13(4-5-17(16)25-26-20)6-15(10-22)27-12-23-11-24-27/h4-9,11-12H,1-3H3,(H,25,26)
Definition date:	2013-09-09
Last modified:	2024-09-27
Release date:	2014-10-22
Identifier:	(2Z)-2-(1H-1,2,4-triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enenitrile

ASO

ASO
Name:	1,5-anhydro-D-glucitol
Formula:	C6 H12 O5
SMILES:	OC1C(OCC(O)C1O)CO
InChi:	InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
Synonyms:	1,5-ANHYDROSORBITOL
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	1,5-anhydro-D-glucitol

ASP

ASP
Name:	ASPARTIC ACID
Formula:	C4 H7 N O4
SMILES:	O=C(O)CC(N)C(=O)O
InChi:	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	L-aspartic acid

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