Chemie Search results for query - Protein Data Bank Japan

English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

PDB Info pages Status search Chemie search: 45296 results BIRD

✖

1CU

1CU
Name:	COPPER ION, 1 WATER COORDINATED
Formula:	Cu H2 O
SMILES:	O\|[Cu++]
InChi:	InChI=1/Cu.H2O/h
Definition date:	1999-07-08
Last modified:	2008-10-14

XL1

XL1
Name:	ETHANETHIOL
Formula:	C2 H6 S
SMILES:	SCC
InChi:	InChI=1/C2H6S/c1-2-3/h3H,2H2,1H3
Definition date:	1999-09-02
Last modified:	2008-10-14
Identifier:	ethanethiol

FS3

FS3
Name:	FE3-S4 CLUSTER
Formula:	Fe3 S4
SMILES:	S1[Fe]\|2\|3\|4S[Fe]\|56\|2S[Fe]1\|3\|5S\|46
InChi:	InChI=1/3Fe.4S/rFe3S4/c4-1-2(4)3(1,5-1,6-2)7(1)2
Definition date:	1999-07-08
Last modified:	2008-10-14

FS4

FS4
Name:	IRON/SULFUR CLUSTER
Formula:	Fe4 S4
SMILES:	[Fe]1\|2\|3\|4\|5\|[Fe]\|6\|78\|9\|S1[Fe]\|%10%11\|2\|6S\|3[Fe]\|4\|7\|%10(S\|58)S\|9%11
InChi:	InChI=1/4Fe.4S/rFe4S4/c5-1-2(5)3(1,5)4(1,2,6(1)2,7(1)3)8(2)3
Definition date:	1999-07-08
Last modified:	2008-10-14

YH
Name:	YTTRIUM ION, 1 WATER COORDINATED
Formula:	H2 O Y
SMILES:	[OH2][Y+2]
Definition date:	1999-11-12
Last modified:	2008-10-14

ZH3

ZH3
Name:	ZINC TRIHYDROXIDE
Formula:	H3 O3 Zn
SMILES:	O[Zn-](O)O
InChi:	InChI=1/3H2O.Zn/h3*1H2
Definition date:	2005-01-20
Last modified:	2008-10-14
Identifier:	trihydroxyzincate(1-)

XPP

XPP
Name:	HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POLYAMIDE
Formula:	C31 H41 N11 O6
SMILES:	CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2[n](C)cc(NC(=O)c3cc(NC(=O)c4ncc[n]4C)c[n]3C)c2O)c[n]1C
InChi:	InChI=1/C31H41N11O6/c1-38(2)12-7-9-32-24(43)8-10-34-28(45)22-14-19(16-40(22)4)35-30(47)25-26(44)21(18-42(25)6)37-29(46)23-15-20(17-41(23)5)36-31(48)27-33-11-13-39(27)3/h11,13-18,44H,7-10,12H2,1-6H3,(H,32,43)(H,34,45)(H,35,47)(H,36,48)(H,37,46)
Synonyms:	IMPYHPPYBETADP
Definition date:	1999-08-27
Last modified:	2008-10-14
Identifier:	N-[5-[[5-[[5-[[3-(3-dimethylaminopropylamino)-3-oxo-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-4-hydroxy-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide

INY

INY
Name:	CARPROPAMIDE
Formula:	C15 H18 Cl3 N O
SMILES:	O=C(NC(c1ccc(Cl)cc1)C)C2(CC)C(C)C2(Cl)Cl
InChi:	InChI=1/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)/t9-,10-,14+/m1/s1/f/h19H
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	(1S,3R)-2,2-dichloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropanecarboxamide

IPS

IPS
Name:	INORGANIC PHOSPHATE GROUP
Formula:	H O4 P
SMILES:	[O-]P([O-])(=O)O
InChi:	InChI=1/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2/fHO4P/h1H/q-2
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	hydrogen phosphate

GCL

GCL
Name:	1-CYCLOHEXYL-2-AMINO-3,4-DIHYDROXY-6-METHYLHEPTANE
Formula:	C14 H29 N O2
SMILES:	OC(CC(C)C)C(O)C(N)CC1CCCCC1
InChi:	InChI=1/C14H29NO2/c1-10(2)8-13(16)14(17)12(15)9-11-6-4-3-5-7-11/h10-14,16-17H,3-9,15H2,1-2H3/t12-,13-,14+/m0/s1
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol

MFA

MFA
Name:	ALPHA-L-1-METHYL-FUCOSE
Formula:	C7 H14 O5
SMILES:	OC1C(O)C(O)C(OC1OC)C
InChi:	InChI=1/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1
Definition date:	2002-02-08
Last modified:	2008-10-14
Identifier:	methyl 6-deoxy-alpha-L-galactopyranoside

GDB

GDB
Name:	1-(S-GLUTATHIONYL)-2,4-DINITROBENZENE
Formula:	C16 H19 N5 O10 S
SMILES:	O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSc1ccc(cc1N(=O)=O)N(=O)=O
InChi:	InChI=1/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10-/m0/s1/f/h18-19,23,26H
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	L-gamma-glutamyl-S-(2,4-dinitrophenyl)-L-cysteinylglycine

MGA

MGA
Name:	BETA-METHYL-D-GALACTOSIDE
Formula:	C7 H14 O6
SMILES:	OC1C(O)C(O)C(OC1OC)CO
InChi:	InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	methyl beta-D-galactopyranoside

MH3

MH3
Name:	MANGANESE ION, 1 HYDROXYL COORDINATED
Formula:	H Mn O
SMILES:	[Mn+3]O
InChi:	InChI=1/Mn.H2O/h
Synonyms:	[MN(OH)]2+
Definition date:	2002-06-26
Last modified:	2008-10-14
Identifier:	hydroxymanganese(3+)

MHM

MHM
Name:	[7,12-DIETHYL-3,8,13,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPORPANOTO-(2)-N21,N22,N23,N24,]IRON
Formula:	C34 H32 Fe N4 O4
SMILES:	O=C(O)CCC=1C7=[N+]4C(C=1C)=Cc5c(C=C)c(c6C=C8[N+]3=C(C=C2C(=C(C(N2[Fe]34n56)=C7)CCC(=O)O)C)C(=C8C=C)C)C
InChi:	InChI=1/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
Synonyms:	MESOHEME
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron(2+)

MIP

MIP
Name:	MONOISOPROPYL ESTER PHOSPHONIC ACID
Formula:	C3 H9 O4 P
SMILES:	O=P(O)(O)OC(C)C
InChi:	InChI=1/C3H9O4P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H2,4,5,6)/f/h4-5H
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	1-methylethyl dihydrogen phosphate

MN5

MN5
Name:	MANGANESE ION, 5 WATERS COORDINATED
Formula:	H10 Mn O5
SMILES:	O\|[Mn++](\|O)(\|O)(\|O)\|O
InChi:	InChI=1/Mn.5H2O/h
Definition date:	2000-02-28
Last modified:	2008-10-14

MN6

MN6
Name:	MANGANESE ION, 6 WATERS COORDINATED
Formula:	H12 Mn O6
SMILES:	O\|[Mn](\|O)(\|O)(\|O)(\|O)\|O
InChi:	InChI=1/Mn.6H2O/h
Definition date:	2005-02-10
Last modified:	2008-10-14

GLB

GLB
Name:	BETA-D-GALACTOSE
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC(O)C1O)CO
InChi:	InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	beta-D-galactopyranose

GLI

GLI
Name:	ALA-ALA-PHE-PSI((S)-CHOH-CH2)-GLY-VAL-VAL-OME
Formula:	C29 H47 N5 O7
SMILES:	O=C(OC)C(NC(=O)C(NC(=O)CCC(O)C(NC(=O)C(NC(=O)C(N)C)C)Cc1ccccc1)C(C)C)C(C)C
InChi:	InChI=1/C29H47N5O7/c1-16(2)24(28(39)34-25(17(3)4)29(40)41-7)33-23(36)14-13-22(35)21(15-20-11-9-8-10-12-20)32-27(38)19(6)31-26(37)18(5)30/h8-12,16-19,21-22,24-25,35H,13-15,30H2,1-7H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)/t18-,19-,21-,22-,24-,25-/m0/s1/f/h31-34H
Synonyms:	SKF 107457
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate

MO1

MO1
Name:	MAGNESIUM ION, 1 WATER COORDINATED
Formula:	H2 Mg O
SMILES:	O\|[Mg++]
InChi:	InChI=1/Mg.H2O/h
Definition date:	1999-07-08
Last modified:	2008-10-14

MO2

MO2
Name:	MAGNESIUM ION, 2 WATERS COORDINATED
Formula:	H4 Mg O2
SMILES:	O\|[Mg++]\|O
InChi:	InChI=1/Mg.2H2O/h
Definition date:	1999-07-08
Last modified:	2008-10-14

MO3

MO3
Name:	MAGNESIUM ION, 3 WATERS COORDINATED
Formula:	H6 Mg O3
SMILES:	O\|[Mg++](\|O)\|O
InChi:	InChI=1/Mg.3H2O/h
Definition date:	1999-07-08
Last modified:	2008-10-14

MO4

MO4
Name:	MAGNESIUM ION, 4 WATERS COORDINATED
Formula:	H8 Mg O4
SMILES:	O\|[Mg++](\|O)(\|O)\|O
InChi:	InChI=1/Mg.4H2O/h
Definition date:	1999-07-08
Last modified:	2008-10-14

MO5

MO5
Name:	MAGNESIUM ION, 5 WATERS COORDINATED
Formula:	H10 Mg O5
SMILES:	O\|[Mg++](\|O)(\|O)(\|O)\|O
InChi:	InChI=1/Mg.5H2O/h
Definition date:	1999-07-08
Last modified:	2008-10-14

<1796 1797 1798 1799 1800 1801 180218031804 1805 1806 1807 1808 1809 1810 1811 >

235666

PDB entries from 2025-05-07

PDB statistics

PDBj update info

Contact PDBj

numon