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6OA

6OA
Name:	(2Z,4E)-2,6-dihydroxyhexa-2,4-dienoic acid
Formula:	C6 H8 O4
SMILES:	O=C(O)C(O)=CC=CCO
InChi:	InChI=1S/C6H8O4/c7-4-2-1-3-5(8)6(9)10/h1-3,7-8H,4H2,(H,9,10)/b2-1+,5-3-
Definition date:	2013-12-17
Last modified:	2024-09-27
Release date:	2014-12-24
Identifier:	(2Z,4E)-2,6-dihydroxyhexa-2,4-dienoic acid

6OB

6OB
Name:	(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid
Formula:	C18 H30 O4
SMILES:	O=C(O)CCCCC(=O)C/C=C/C(O)CC=C/CCCCC
InChi:	InChI=1S/C18H30O4/c1-2-3-4-5-6-7-11-16(19)13-10-14-17(20)12-8-9-15-18(21)22/h6-7,10,13,16,19H,2-5,8-9,11-12,14-15H2,1H3,(H,21,22)/b7-6-,13-10+/t16-/m0/s1
Definition date:	2008-06-02
Last modified:	2024-09-27
Identifier:	(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid

6OC

6OC
Name:	(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid
Formula:	C18 H30 O4
SMILES:	O=C(O)CCCCC(=O)CC(O)C=C/CC=C/CCCCC
InChi:	InChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-9-12-16(19)15-17(20)13-10-11-14-18(21)22/h6-7,9,12,16,19H,2-5,8,10-11,13-15H2,1H3,(H,21,22)/b7-6-,12-9-/t16-/m0/s1
Definition date:	2008-06-02
Last modified:	2024-09-27
Identifier:	(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid

6OY

6OY
Name:	ethyl (4R)-4-[[(2S,4S)-1-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-4-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
Formula:	C32 H43 N5 O7
SMILES:	CCOC(=O)CCC(NC(=O)C1N(CC(C1)c2ccccc2)C(=O)C(NC(=O)c3noc(c3)C)C(C)C)CC4CCNC4=O
InChi:	InChI=1S/C32H43N5O7/c1-5-43-27(38)12-11-24(16-22-13-14-33-29(22)39)34-31(41)26-17-23(21-9-7-6-8-10-21)18-37(26)32(42)28(19(2)3)35-30(40)25-15-20(4)44-36-25/h6-10,15,19,22-24,26,28H,5,11-14,16-18H2,1-4H3,(H,33,39)(H,34,41)(H,35,40)/t22-,23+,24+,26-,28-/m0/s1
Definition date:	2016-02-25
Last modified:	2024-09-27
Release date:	2016-06-22
Identifier:	N-(5-methyl-1,2-oxazole-3-carbonyl)-L-valyl-(4S)-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-phenyl-L-prolinamide

6P6

6P6
Name:	1-(4-phenylazanylquinazolin-7-yl)ethanone
Formula:	C16 H13 N3 O
SMILES:	CC(=O)c1ccc2c(Nc3ccccc3)ncnc2c1
InChi:	InChI=1S/C16H13N3O/c1-11(20)12-7-8-14-15(9-12)17-10-18-16(14)19-13-5-3-2-4-6-13/h2-10H,1H3,(H,17,18,19)
Definition date:	2016-05-31
Last modified:	2024-09-27
Release date:	2016-08-10
Identifier:	1-(4-phenylazanylquinazolin-7-yl)ethanone

9WV

9WV
Name:	beta-alanyl-3-amino-L-alanine
Formula:	C6 H13 N3 O3
SMILES:	NCC(NC(=O)CCN)C(O)=O
InChi:	InChI=1S/C6H13N3O3/c7-2-1-5(10)9-4(3-8)6(11)12/h4H,1-3,7-8H2,(H,9,10)(H,11,12)/t4-/m0/s1
Definition date:	2017-06-20
Last modified:	2024-09-27
Release date:	2017-10-04
Identifier:	beta-alanyl-3-amino-L-alanine

9XQ

9XQ
Name:	[azanyl-[(3-carboxyphenyl)amino]methylidene]azanium
Formula:	C8 H10 N3 O2
SMILES:	NC(=[NH2+])Nc1cccc(c1)C(O)=O
InChi:	InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)/p+1
Definition date:	2017-07-27
Last modified:	2024-09-27
Release date:	2018-06-06
Identifier:	[azanyl-[(3-carboxyphenyl)amino]methylidene]azanium

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

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

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

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

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

A0A

A0A
Name:	(2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTANOIC ACID
Formula:	C5 H7 N O5
SMILES:	O=C(OC=O)CC(C(=O)O)N
InChi:	InChI=1S/C5H7NO5/c6-3(5(9)10)1-4(8)11-2-7/h2-3H,1,6H2,(H,9,10)/t3-/m0/s1
Definition date:	2007-12-11
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-4-(formyloxy)-4-oxobutanoic acid (non-preferred name)

A0G

A0G
Name:	(2Z)-2-amino-3-hydroxyprop-2-enoic acid
Formula:	C3 H5 N O3
SMILES:	C(=O)(/C(N)=C/O)O
InChi:	InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1,5H,4H2,(H,6,7)/b2-1-
Definition date:	2017-06-30
Last modified:	2024-09-27
Release date:	2019-09-18
Identifier:	(2Z)-2-amino-3-hydroxyprop-2-enoic 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

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

A1G

A1G
Name:	(2S)-amino[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid
Formula:	C12 H19 N O2
SMILES:	O=C(O)C(C13CC2CC(C1)CC(C2)C3)N
InChi:	InChI=1S/C12H19NO2/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-10H,1-6,13H2,(H,14,15)/t7-,8+,9-,10-,12-/m1/s1
Definition date:	2016-04-28
Last modified:	2024-09-27
Release date:	2017-05-10
Identifier:	(2S)-amino[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid

A1J

A1J
Name:	3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid
Formula:	C9 H13 B N O9 P S
SMILES:	c1ccc(CS(=O)(NCB(OP(O)(O)=O)O)=O)cc1C(O)=O
InChi:	InChI=1S/C9H13BNO9PS/c12-9(13)8-3-1-2-7(4-8)5-22(18,19)11-6-10(14)20-21(15,16)17/h1-4,11,14H,5-6H2,(H,12,13)(H2,15,16,17)
Definition date:	2017-07-05
Last modified:	2024-09-27
Release date:	2017-12-06
Identifier:	3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid

A1M

A1M
Name:	phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid
Formula:	C8 H11 B N5 O7 P S
SMILES:	OB(CN[S](=O)(=O)c1ccc(cc1)c2[nH]nnn2)O[P](O)(O)=O
InChi:	InChI=1S/C8H11BN5O7PS/c15-9(21-22(16,17)18)5-10-23(19,20)7-3-1-6(2-4-7)8-11-13-14-12-8/h1-4,10,15H,5H2,(H2,16,17,18)(H,11,12,13,14)
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)phenyl]sulfonylamino]methyl]borinic acid

A1W

A1W
Name:	2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Formula:	C23 H19 Cl N2 O
SMILES:	O=C(CCl)N1N=C(c2ccccc2)C(C1c1ccccc1)c1ccccc1
InChi:	InChI=1S/C23H19ClN2O/c24-16-20(27)26-23(19-14-8-3-9-15-19)21(17-10-4-1-5-11-17)22(25-26)18-12-6-2-7-13-18/h1-15,21,23H,16H2/t21-,23-/m0/s1
Definition date:	2023-04-20
Last modified:	2024-09-27
Release date:	2023-06-07
Identifier:	2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

A2G

A2G
Name:	2-acetamido-2-deoxy-alpha-D-galactopyranose
Formula:	C8 H15 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:	InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1
Synonyms:	N-acetyl-alpha-D-galactosamine
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-(acetylamino)-2-deoxy-alpha-D-galactopyranose

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