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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

6P8

6P8
Name:	~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide
Formula:	C16 H14 N4 O
SMILES:	CC(=O)Nc1ccc2c(Nc3ccccc3)ncnc2c1
InChi:	InChI=1S/C16H14N4O/c1-11(21)19-13-7-8-14-15(9-13)17-10-18-16(14)20-12-5-3-2-4-6-12/h2-10H,1H3,(H,19,21)(H,17,18,20)
Definition date:	2016-05-31
Last modified:	2024-09-27
Release date:	2016-08-10
Identifier:	~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide

6QR

6QR
Name:	(2~{S},3~{R},4~{R})-4-(1~{H}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{S},3~{S})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid
Formula:	C18 H20 N2 O4 S
SMILES:	C[CH](O)[CH](C=O)[CH]1N=C([CH](Sc2c[nH]c3ccccc23)[CH]1C)C(O)=O
InChi:	InChI=1S/C18H20N2O4S/c1-9-15(12(8-21)10(2)22)20-16(18(23)24)17(9)25-14-7-19-13-6-4-3-5-11(13)14/h3-10,12,15,17,19,22H,1-2H3,(H,23,24)/t9-,10+,12-,15-,17-/m1/s1
Definition date:	2016-05-25
Last modified:	2024-09-27
Release date:	2016-11-09
Identifier:	(2~{S},3~{R},4~{R})-4-(1~{H}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{S},3~{S})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid

6R3

6R3
Name:	2-azanylpenta-1,4-dien-3-one
Formula:	C5 H7 N O
SMILES:	NC(=C)C(=O)C=C
InChi:	InChI=1S/C5H7NO/c1-3-5(7)4(2)6/h3H,1-2,6H2
Definition date:	2016-05-27
Last modified:	2024-09-27
Release date:	2016-10-05
Identifier:	2-azanylpenta-1,4-dien-3-one

6RK

6RK
Name:	4-azanylcyclohexane-1-carboxylic acid
Formula:	C7 H13 N O2
SMILES:	N[CH]1CC[CH](CC1)C(O)=O
InChi:	InChI=1S/C7H13NO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-
Definition date:	2016-06-03
Last modified:	2024-09-27
Release date:	2016-07-13
Identifier:	4-azanylcyclohexane-1-carboxylic acid

6S6

6S6
Name:	(1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid
Formula:	C15 H28 N4 O6
SMILES:	O[CH]1[CH](O)[CH](O)[CH]([CH](NCCCCCCCCN=[N+]=[N-])[CH]1O)C(O)=O
InChi:	InChI=1S/C15H28N4O6/c16-19-18-8-6-4-2-1-3-5-7-17-10-9(15(24)25)11(20)13(22)14(23)12(10)21/h9-14,17,20-23H,1-8H2,(H,24,25)/t9-,10+,11+,12-,13-,14-/m0/s1
Definition date:	2016-06-13
Last modified:	2024-09-27
Release date:	2017-05-31
Identifier:	(1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid

6SE

6SE
Name:	triselane
Formula:	H2 Se3
SMILES:	[SeH][Se][SeH]
InChi:	InChI=1S/H2Se3/c1-3-2/h1-2H
Definition date:	2011-08-05
Last modified:	2024-09-27
Identifier:	triselane

6SI

6SI
Name:	(3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide
Formula:	C14 H23 N8 O2 S
SMILES:	N[NH2+]NCC(=O)N1CCc2nc(NC(=O)[CH]3CCN(C3)C=N)sc2C1
InChi:	InChI=1S/C14H22N8O2S/c15-8-21-3-1-9(6-21)13(24)19-14-18-10-2-4-22(7-11(10)25-14)12(23)5-17-20-16/h8-9,15,17,20H,1-7,16H2,(H,18,19,24)/p+1/b15-8+/t9-/m0/s1
Definition date:	2021-08-02
Last modified:	2024-09-27
Release date:	2022-08-10
Identifier:	azanyl-[[2-[2-[[(3~{S})-1-(iminomethyl)pyrrolidin-3-yl]carbonylamino]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-oxidanylidene-ethyl]amino]azanium

6SM

6SM
Name:	5-chloranylpyrimidine-4-carboxylic acid
Formula:	C5 H3 Cl N2 O2
SMILES:	OC(=O)c1ncncc1Cl
InChi:	InChI=1S/C5H3ClN2O2/c6-3-1-7-2-8-4(3)5(9)10/h1-2H,(H,9,10)
Definition date:	2016-06-15
Last modified:	2024-09-27
Release date:	2016-08-10
Identifier:	5-chloranylpyrimidine-4-carboxylic acid

6T8

6T8
Name:	N-((S)-3-(4-(aminomethyl)phenyl)-1-(((R)-4-guanidino-1-(5-hydroxy-1,3,2-dioxaborinan-2-yl)butyl)amino)-1-oxopropan-2-yl)benzamide
Formula:	C25 H35 B N6 O5
SMILES:	NCc1ccc(C[CH](NC(=O)c2ccccc2)C(=O)N[CH](CCCNC(N)=N)B3OCC(O)CO3)cc1
InChi:	InChI=1S/C25H35BN6O5/c27-14-18-10-8-17(9-11-18)13-21(31-23(34)19-5-2-1-3-6-19)24(35)32-22(7-4-12-30-25(28)29)26-36-15-20(33)16-37-26/h1-3,5-6,8-11,20-22,33H,4,7,12-16,27H2,(H,31,34)(H,32,35)(H4,28,29,30)/t21-,22-/m0/s1
Definition date:	2016-06-20
Last modified:	2024-09-27
Release date:	2016-07-06
Identifier:	~{N}-[(2~{S})-3-[4-(aminomethyl)phenyl]-1-[[(1~{R})-4-carbamimidamido-1-(5-oxidanyl-1,3,2-dioxaborinan-2-yl)butyl]amino]-1-oxidanylidene-propan-2-yl]benzamide

6TS

6TS
Name:	[(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate
Formula:	C31 H34 Cl N7 O3
SMILES:	CCC(=O)Nc1ccccc1Nc2nc(Nc3ccnc(c3)C#CCCNC(=O)O[CH]4CCCC=CCC4)ncc2Cl
InChi:	InChI=1S/C31H34ClN7O3/c1-2-28(40)37-26-15-8-9-16-27(26)38-29-25(32)21-35-30(39-29)36-23-17-19-33-22(20-23)12-10-11-18-34-31(41)42-24-13-6-4-3-5-7-14-24/h3-4,8-9,15-17,19-21,24H,2,5-7,11,13-14,18H2,1H3,(H,34,41)(H,37,40)(H2,33,35,36,38,39)/b4-3-/t24-/m0/s1
Definition date:	2016-06-22
Last modified:	2024-09-27
Release date:	2016-08-31
Identifier:	[(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate

6TT

6TT
Name:	~{N}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide
Formula:	C20 H19 F3 N6 O2
SMILES:	CCC(=O)Nc1ccccc1Nc2nc(Nc3cncc(OC)c3)ncc2C(F)(F)F
InChi:	InChI=1S/C20H19F3N6O2/c1-3-17(30)27-15-6-4-5-7-16(15)28-18-14(20(21,22)23)11-25-19(29-18)26-12-8-13(31-2)10-24-9-12/h4-11H,3H2,1-2H3,(H,27,30)(H2,25,26,28,29)
Definition date:	2016-06-22
Last modified:	2024-09-27
Release date:	2016-07-20
Identifier:	~{N}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide

6UU

6UU
Name:	[2-(1~{H}-indol-3-yl)ethylamino]phosphonic acid
Formula:	C10 H13 N2 O3 P
SMILES:	O[P](O)(=O)NCCc1c[nH]c2ccccc12
InChi:	InChI=1S/C10H13N2O3P/c13-16(14,15)12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11H,5-6H2,(H3,12,13,14,15)
Definition date:	2016-06-28
Last modified:	2024-09-27
Release date:	2017-06-28
Identifier:	[2-(1~{H}-indol-3-yl)ethylamino]phosphonic acid

6V1

6V1
Name:	(2~{R})-2-azanyl-3-[(3~{R})-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid
Formula:	C9 H14 N2 O4 S
SMILES:	CCN1C(=O)C[CH](SC[CH](N)C(O)=O)C1=O
InChi:	InChI=1S/C9H14N2O4S/c1-2-11-7(12)3-6(8(11)13)16-4-5(10)9(14)15/h5-6H,2-4,10H2,1H3,(H,14,15)/t5-,6+/m0/s1
Definition date:	2016-07-01
Last modified:	2024-09-27
Release date:	2016-08-17
Identifier:	(2~{R})-2-azanyl-3-[(3~{R})-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid

6V7

6V7
Name:	[(1~{R})-3-methyl-1-[[(2~{S},3~{S})-3-oxidanyl-2-[(6-phenylpyridin-2-yl)carbonylamino]butanoyl]amino]butyl]boronic acid
Formula:	C21 H28 B N3 O5
SMILES:	CC(C)C[CH](NC(=O)[CH](NC(=O)c1cccc(n1)c2ccccc2)[CH](C)O)B(O)O
InChi:	InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18-,19-/m0/s1
Definition date:	2016-07-01
Last modified:	2024-09-27
Release date:	2016-08-17
Identifier:	[(1~{R})-3-methyl-1-[[(2~{S},3~{S})-3-oxidanyl-2-[(6-phenylpyridin-2-yl)carbonylamino]butanoyl]amino]butyl]boronic acid

6V8

6V8
Name:	[(1~{R})-1-[2-[[2,5-bis(chloranyl)phenyl]carbonylamino]ethanoylamino]-3-methyl-butyl]boronic acid
Formula:	C14 H19 B Cl2 N2 O4
SMILES:	CC(C)C[CH](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O
InChi:	InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
Definition date:	2016-07-01
Last modified:	2024-09-27
Release date:	2016-08-17
Identifier:	[(1~{R})-1-[2-[[2,5-bis(chloranyl)phenyl]carbonylamino]ethanoylamino]-3-methyl-butyl]boronic acid

6V9

6V9
Name:	2-methyl-1,3-thiazole-5-carboxylic acid
Formula:	C5 H5 N O2 S
SMILES:	Cc1sc(cn1)C(O)=O
InChi:	InChI=1S/C5H5NO2S/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8)
Definition date:	2016-07-04
Last modified:	2024-09-27
Release date:	2016-08-17
Identifier:	2-methyl-1,3-thiazole-5-carboxylic acid

6VA

6VA
Name:	(3~{R},4~{S})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol
Formula:	C12 H19 N O2
SMILES:	CC(C)(O)[CH](O)[CH](N)Cc1ccccc1
InChi:	InChI=1S/C12H19NO2/c1-12(2,15)11(14)10(13)8-9-6-4-3-5-7-9/h3-7,10-11,14-15H,8,13H2,1-2H3/t10-,11+/m0/s1
Definition date:	2016-07-04
Last modified:	2024-09-27
Release date:	2016-08-17
Identifier:	(3~{R},4~{S})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol

6VC

6VC
Name:	~{N}-[(2~{S})-1-[[(2~{S},3~{R},4~{S})-2,6-dimethyl-1,2,3-tris(oxidanyl)heptan-4-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-6-methyl-heptanamide
Formula:	C20 H40 N2 O6
SMILES:	CC(C)CCCCC(=O)N[CH](CO)C(=O)N[CH](CC(C)C)[CH](O)[C](C)(O)CO
InChi:	InChI=1S/C20H40N2O6/c1-13(2)8-6-7-9-17(25)21-16(11-23)19(27)22-15(10-14(3)4)18(26)20(5,28)12-24/h13-16,18,23-24,26,28H,6-12H2,1-5H3,(H,21,25)(H,22,27)/t15-,16-,18+,20-/m0/s1
Synonyms:	Dihydroeponemycin bound form
Definition date:	2016-07-05
Last modified:	2024-09-27
Release date:	2016-08-17
Identifier:	~{N}-[(2~{S})-1-[[(2~{S},3~{R},4~{S})-2,6-dimethyl-1,2,3-tris(oxidanyl)heptan-4-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-6-methyl-heptanamide

6VF

6VF
Name:	(2~{R},3~{S})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol
Formula:	C10 H15 N O3
SMILES:	N[CH](Cc1ccc(O)cc1)[CH](O)CO
InChi:	InChI=1S/C10H15NO3/c11-9(10(14)6-12)5-7-1-3-8(13)4-2-7/h1-4,9-10,12-14H,5-6,11H2/t9-,10-/m0/s1
Definition date:	2016-07-06
Last modified:	2024-09-27
Release date:	2016-08-17
Identifier:	(2~{R},3~{S})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol

6VG

6VG
Name:	~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] ethanethioate
Formula:	C13 H25 N2 O8 P S
SMILES:	CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
InChi:	InChI=1S/C13H25N2O8PS/c1-9(16)25-7-6-14-10(17)4-5-15-12(19)11(18)13(2,3)8-23-24(20,21)22/h11,18H,4-8H2,1-3H3,(H,14,17)(H,15,19)(H2,20,21,22)/t11-/m0/s1
Definition date:	2016-07-05
Last modified:	2024-09-27
Release date:	2016-08-31
Identifier:	~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] ethanethioate

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