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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

6VO

6VO
Name:	(3~{R},4~{S})-4-azanyl-2,6-dimethyl-heptane-2,3-diol
Formula:	C9 H21 N O2
SMILES:	CC(C)C[CH](N)[CH](O)C(C)(C)O
InChi:	InChI=1S/C9H21NO2/c1-6(2)5-7(10)8(11)9(3,4)12/h6-8,11-12H,5,10H2,1-4H3/t7-,8+/m0/s1
Definition date:	2016-07-07
Last modified:	2024-09-27
Release date:	2016-08-17
Identifier:	(3~{R},4~{S})-4-azanyl-2,6-dimethyl-heptane-2,3-diol

6W5

6W5
Name:	[(3~{S})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate
Formula:	C14 H26 N3 O8 P
SMILES:	CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCNC(=O)C=C
InChi:	InChI=1S/C14H26N3O8P/c1-4-10(18)15-7-8-16-11(19)5-6-17-13(21)12(20)14(2,3)9-25-26(22,23)24/h4,12,20H,1,5-9H2,2-3H3,(H,15,18)(H,16,19)(H,17,21)(H2,22,23,24)/t12-/m1/s1
Definition date:	2016-07-08
Last modified:	2024-09-27
Release date:	2018-01-24
Identifier:	[(3~{S})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate

6WG

6WG
Name:	(2~{R})-2-phenylpiperidine-1-carbaldehyde
Formula:	C12 H15 N O
SMILES:	O=CN1CCCC[CH]1c2ccccc2
InChi:	InChI=1S/C12H15NO/c14-10-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2/t12-/m1/s1
Definition date:	2016-07-11
Last modified:	2024-09-27
Release date:	2016-07-20
Identifier:	(2~{R})-2-phenylpiperidine-1-carbaldehyde

6WK

6WK
Name:	(2~{R})-2-azanyl-3-[[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid
Formula:	C7 H15 N O4 S3
SMILES:	N[CH](CSSC[CH](O)[CH](O)CS)C(O)=O
InChi:	InChI=1S/C7H15NO4S3/c8-4(7(11)12)2-14-15-3-6(10)5(9)1-13/h4-6,9-10,13H,1-3,8H2,(H,11,12)/t4-,5+,6+/m0/s1
Definition date:	2016-07-11
Last modified:	2024-09-27
Release date:	2016-10-12
Identifier:	(2~{R})-2-azanyl-3-[[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid

6Y1

6Y1
Name:	~{N}-(1-adamantyl)-2-selanyl-benzamide
Formula:	C17 H21 N O Se
SMILES:	[SeH]c1ccccc1C(=O)NC23CC4CC(CC(C4)C2)C3
InChi:	InChI=1S/C17H21NOSe/c19-16(14-3-1-2-4-15(14)20)18-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,20H,5-10H2,(H,18,19)/t11-,12+,13-,17-
Synonyms:	Adamantyl Ebselen (open form)
Definition date:	2016-07-21
Last modified:	2024-09-27
Release date:	2017-03-29
Identifier:	~{N}-(1-adamantyl)-2-selanyl-benzamide

6Y3

6Y3
Name:	~{N}-(4-aminophenyl)-2-selanyl-benzamide
Formula:	C13 H12 N2 O Se
SMILES:	Nc1ccc(NC(=O)c2ccccc2[SeH])cc1
InChi:	InChI=1S/C13H12N2OSe/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17/h1-8,17H,14H2,(H,15,16)
Synonyms:	amino-ebselen (open form)
Definition date:	2016-07-21
Last modified:	2024-09-27
Release date:	2017-03-29
Identifier:	~{N}-(4-aminophenyl)-2-selanyl-benzamide

6Y5

6Y5
Name:	5-fluoranyl-2-oxidanylidene-pentanoic acid
Formula:	C5 H7 F O3
SMILES:	OC(=O)C(=O)CCCF
InChi:	InChI=1S/C5H7FO3/c6-3-1-2-4(7)5(8)9/h1-3H2,(H,8,9)
Definition date:	2016-07-21
Last modified:	2024-09-27
Release date:	2018-02-21
Identifier:	5-fluoranyl-2-oxidanylidene-pentanoic acid

6ZD

6ZD
Name:	5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine
Formula:	C15 H23 Cl N7 O10 P S
SMILES:	C1(C(C(COP(CS(=O)(NCCNC(CCl)=O)=O)(O)=O)OC1n3c2c(C(N=C(N)N2)=O)nc3)O)O
InChi:	InChI=1S/C15H23ClN7O10PS/c16-3-8(24)18-1-2-20-35(30,31)6-34(28,29)32-4-7-10(25)11(26)14(33-7)23-5-19-9-12(23)21-15(17)22-13(9)27/h5,7,10-11,14,20,25-26H,1-4,6H2,(H,18,24)(H,28,29)(H3,17,21,22,27)/t7-,10-,11-,14-/m1/s1
Definition date:	2016-07-29
Last modified:	2024-09-27
Release date:	2017-04-12
Identifier:	5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine

6ZS

6ZS
Name:	L-isovaline
Formula:	C5 H11 N O2
SMILES:	CC[C](C)(N)C(O)=O
InChi:	InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m0/s1
Definition date:	2016-08-02
Last modified:	2024-09-27
Release date:	2017-10-04
Identifier:	(2~{S})-2-azanyl-2-methyl-butanoic acid

703

703
Name:	5-(3-MORPHOLIN-4-YL-PROPYL)-2-(3-NITRO-PHENYL)-4-THIOXO-4,5-DIHYDRO-1-THIA-3B,5-DIAZA-CYCLOPENTA[A]PENTALEN-6-ONE
Formula:	C21 H20 N4 O4 S2
SMILES:	[O-][N+](=O)c1cccc(c1)c4sc3cc2C(=O)N(C(=S)n2c3c4)CCCN5CCOCC5
InChi:	InChI=1S/C21H20N4O4S2/c26-20-17-13-19-16(12-18(31-19)14-3-1-4-15(11-14)25(27)28)24(17)21(30)23(20)6-2-5-22-7-9-29-10-8-22/h1,3-4,11-13H,2,5-10H2
Synonyms:	6-[3-(4-MORPHOLINYL)PROPYL]-2-(3-NITROPHENYL)-5-THIOXO-5,6,-DIHYDRO-7H-THIENOL[2',3':4,5]PYRROLO[1,2-C] IMIDAZOL-7-ONE
Definition date:	2000-09-27
Last modified:	2024-09-27
Identifier:	6-(3-morpholin-4-ylpropyl)-2-(3-nitrophenyl)-5-thioxo-5,6-dihydro-7H-thieno[2',3':4,5]pyrrolo[1,2-c]imidazol-7-one

707

707
Name:	N-(3-bromo-4-methoxybenzoyl)-beta-alanine
Formula:	C11 H12 Br N O4
SMILES:	O=C(O)CCNC(c1cc(c(OC)cc1)Br)=O
InChi:	InChI=1S/C11H12BrNO4/c1-17-9-3-2-7(6-8(9)12)11(16)13-5-4-10(14)15/h2-3,6H,4-5H2,1H3,(H,13,16)(H,14,15)
Definition date:	2015-09-11
Last modified:	2024-09-27
Release date:	2016-02-24
Identifier:	N-(3-bromo-4-methoxybenzoyl)-beta-alanine

70I

70I
Name:	1-[4-[4-[[3,5-bis(chloranyl)-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]amino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]-4-(3-fluoranylazetidin-1-yl)butan-1-one
Formula:	C29 H28 Cl2 F N11 O2
SMILES:	FC1CN(CCCC(=O)N2CCN(CC2)c3ncc4ncnc(Nc5cc(Cl)c(Oc6ccn7ncnc7c6)c(Cl)c5)c4n3)C1
InChi:	InChI=1S/C29H28Cl2FN11O2/c30-21-10-19(11-22(31)27(21)45-20-3-5-43-24(12-20)35-17-37-43)38-28-26-23(34-16-36-28)13-33-29(39-26)42-8-6-41(7-9-42)25(44)2-1-4-40-14-18(32)15-40/h3,5,10-13,16-18H,1-2,4,6-9,14-15H2,(H,34,36,38)
Definition date:	2021-08-03
Last modified:	2024-09-27
Release date:	2022-07-27
Identifier:	1-[4-[4-[[3,5-bis(chloranyl)-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]amino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]-4-(3-fluoranylazetidin-1-yl)butan-1-one

HCI

HCI
Name:	HYDROCINNAMIC ACID
Formula:	C9 H10 O2
SMILES:	O=C(O)CCc1ccccc1
InChi:	InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
Synonyms:	3PP
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-phenylpropanoic acid

HCL

HCL
Name:	(2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid
Formula:	C8 H8 Cl N O4
SMILES:	N[CH](C(O)=O)c1cc(O)cc(O)c1Cl
InChi:	InChI=1S/C8H8ClNO4/c9-6-4(7(10)8(13)14)1-3(11)2-5(6)12/h1-2,7,11-12H,10H2,(H,13,14)/t7-/m0/s1
Definition date:	2012-03-05
Last modified:	2024-09-27
Identifier:	(2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid

HCO

HCO
Name:	2-ACETYL-PROTOPORPHYRIN IX
Formula:	C34 H34 Fe N4 O5
SMILES:	O=C(O)CCC1=C(C2=CC4=C(C(C3=CC5=C(C)C(C=C)C6=Cc8c(c(c7C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)C(O)=C)C)C
InChi:	InChI=1S/C34H34N4O5.Fe/c1-7-21-16(2)26-14-31-34(20(6)39)19(5)27(38-31)12-24-17(3)22(8-10-32(40)41)29(36-24)15-30-23(9-11-33(42)43)18(4)25(37-30)13-28(21)35-26
Definition date:	2003-09-15
Last modified:	2024-09-27
Identifier:	{3,3'-[(7R,12S)-7-ethenyl-12-(1-hydroxyethenyl)-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron

HCS

HCS
Name:	2-AMINO-4-MERCAPTO-BUTYRIC ACID
Formula:	C4 H9 N O2 S
SMILES:	O=C(O)C(N)CCS
InChi:	InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1
Synonyms:	L-Homocysteine
Definition date:	2001-08-14
Last modified:	2024-09-27
Identifier:	L-homocysteine

HD0

HD0
Name:	(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid
Formula:	C10 H12 N4 O4
SMILES:	O=C(O)C(N1C(=O)CC(C1=O)N)Cc2ncnc2
InChi:	InChI=1S/C10H12N4O4/c11-6-2-8(15)14(9(6)16)7(10(17)18)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,17,18)/t6-,7-/m0/s1
Definition date:	2010-11-01
Last modified:	2024-09-27
Release date:	2022-06-29
Identifier:	(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid

HD5

HD5
Name:	[5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid
Formula:	C9 H10 B N O2 S
SMILES:	NCc1ccc2sc(cc2c1)B(O)O
InChi:	InChI=1S/C9H10BNO2S/c11-5-6-1-2-8-7(3-6)4-9(14-8)10(12)13/h1-4,12-13H,5,11H2
Definition date:	2018-12-03
Last modified:	2024-09-27
Release date:	2019-04-24
Identifier:	[5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid

HDB

HDB
Name:	(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
Formula:	C11 H16 B N3 O3
SMILES:	OCC1OB(OC1)c2ccc(cc2)CNC(=[N@H])N
InChi:	InChI=1S/C11H16BN3O3/c13-11(14)15-5-8-1-3-9(4-2-8)12-17-7-10(6-16)18-12/h1-4,10,16H,5-7H2,(H4,13,14,15)/t10-/m1/s1
Definition date:	2005-06-02
Last modified:	2024-09-27
Identifier:	1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]benzyl}guanidine

HDE

HDE
Name:	CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE 17R, 18S
Formula:	C34 H38 Fe N4 O5
SMILES:	O=C(O)CCc9c(c4n6c9C=C8N5C(=Cc1c(c(c3n1[Fe]56n2c(c(c(c2C3)C)CC)C4)CC)C)C(O)(C)C87OC(=O)CC7)C
InChi:	InChI=1S/C34H38N4O5.Fe/c1-7-20-17(3)23-13-27-21(8-2)18(4)25(37-27)15-29-33(6,42)34(12-11-32(41)43-34)30(38-29)16-28-22(9-10-31(39)40)19(5)24(36-28)14-26(20)35-23
Definition date:	2010-10-20
Last modified:	2024-09-27
Identifier:	{3-[(2R,5'S)-10',15'-diethyl-5'-hydroxy-5',9',14',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.1~3,6~.1~8,11~.1~13,16~]tetracosa[1(20),2,6,8,10,13,15,18]octaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato(4-)}iron

HDS

HDS
Name:	1-HEXADECANOSULFONIC ACID
Formula:	C16 H34 O3 S
SMILES:	O=S(=O)(O)CCCCCCCCCCCCCCCC
InChi:	InChI=1S/C16H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H,17,18,19)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	hexadecane-1-sulfonic acid

HDZ

HDZ
Name:	NITROGEN MOLECULE
Formula:	N2
SMILES:	N#N
InChi:	InChI=1S/N2/c1-2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	nitrogen

HE0

HE0
Name:	(2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C17 H28 N4 O7 S
SMILES:	O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)CCCCC(C(=O)O)NC(=O)CN
InChi:	InChI=1S/C17H28N4O7S/c1-17(2)13(16(27)28)21-14(29-17)10(8-22)20-11(23)6-4-3-5-9(15(25)26)19-12(24)7-18/h8-10,13-14,21H,3-7,18H2,1-2H3,(H,19,24)(H,20,23)(H,25,26)(H,27,28)/t9-,10+,13-,14+/m0/s1
Synonyms:	Penicillin analog, bound/open form
Definition date:	2012-02-28
Last modified:	2024-09-27
Identifier:	(2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

HE4

HE4
Name:	HEPTAN-1-OL
Formula:	C7 H16 O
SMILES:	OCCCCCCC
InChi:	InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
Definition date:	2005-05-16
Last modified:	2024-09-27
Identifier:	heptan-1-ol

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