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BCB
BCB
Name:BACTERIOCHLOROPHYLL B
Formula:C55 H72 Mg N4 O6
SMILES:COC(=O)[CH]1C(=O)C2=C(C)C3=CC4=[N+]5C(=Cc6n7c(C=C8[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C9=[N+]8[Mg]57[N]3C2=C19)c(C)c6C(C)=O)[CH](C)C4=CC
InChi:InChI=1S/C55H73N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3
Definition date:1999-07-08
Last modified:2023-09-23
BCL
BCL
Name:BACTERIOCHLOROPHYLL A
Formula:C55 H74 Mg N4 O6
SMILES:[Mg++].CC[CH]1[CH](C)C2=Cc3[n-]c(C=C4N=C([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH]4C)C5=C6[N-]C(=CC1=N2)C(=C6C(=O)[CH]5C(=O)OC)C)c(C)c3C(C)=O
InChi:InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3
Definition date:1999-07-08
Last modified:2023-09-23
4YM
4YM
Name:ethyl 4-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Formula:C21 H22 N6 O3
SMILES:CCOC(=O)c1cnc2[nH]nc(c3cccc(c3)C#N)c2c1N4CCO[CH](CN)C4
InChi:InChI=1S/C21H22N6O3/c1-2-29-21(28)16-11-24-20-17(19(16)27-6-7-30-15(10-23)12-27)18(25-26-20)14-5-3-4-13(8-14)9-22/h3-5,8,11,15H,2,6-7,10,12,23H2,1H3,(H,24,25,26)/t15-/m1/s1
Definition date:2011-06-06
Last modified:2023-09-23
Identifier:ethyl 4-[(2~{R})-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1~{H}-pyrazolo[3,4-b]pyridine-5-carboxylate
PCD
PCD
Name:(MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V)
Formula:C19 H26 Mo N8 O16 P2 S2
SMILES:O.NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]4Nc5nc(N)nc(O)c5N[CH]4C6=C3S[Mo](=O)(=O)S6)[CH](O)[CH]2O
InChi:InChI=1S/C19H26N8O13P2S2.Mo.H2O.2O/c20-7-1-2-27(19(31)22-7)17-11(29)10(28)5(39-17)3-36-41(32,33)40-42(34,35)37-4-6-12(43)13(44)8-16(38-6)24-14-9(23-8)15(30)26-18(21)25-14
Synonyms:MOLYBDENUM COFACTOR
Definition date:1999-07-08
Last modified:2023-09-23
Identifier:[[(1~{R},10~{R},16~{R})-5-azanyl-13-$l^{3}-oxidanyl-7-oxidanyl-13,13-bis(oxidanylidene)-17-oxa-12,14-dithia-2,4,6,9-tetraza-13$l^{7}-molybdatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4,6,11(15)-tetraen-16-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
PEJ
PEJ
Name:PERIODATE
Formula:I O4
SMILES:[O-]I(=O)(=O)=O
InChi:InChI=1S/HIO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1
Definition date:2004-06-04
Last modified:2023-09-23
Identifier:periodate
PFC
PFC
Name:PHENYLFERRICROCIN-IRON
Formula:C34 H48 Fe N9 O12
SMILES:CC(=O)[N]1CCC[CH]2NC(=O)CNC(=O)[CH](Cc3ccccc3)NC(=O)CNC(=O)[CH]4CCC[N](O[Fe](O1)O[N](CCC[CH](NC2=O)C(=O)N4)C(=O)C)C(=O)C
InChi:InChI=1S/C34H48N9O12.Fe/c1-21(44)41(53)15-7-12-25-31(49)35-20-30(48)38-28(18-24-10-5-4-6-11-24)32(50)36-19-29(47)37-26(13-8-16-42(54)22(2)45)33(51)40-27(34(52)39-25)14-9-17-43(55)23(3)46
Definition date:1999-07-12
Last modified:2023-09-23
PHF
PHF
Name:HF-OXO-PHOSPHATE CLUSTER PHF
Formula:H11 Hf5 O23 P
SMILES:O[Hf]123O[P]4(=O)O[Hf]5(O)(O)(O)(O1)O[Hf]67(O)(O4)(O[Hf]8(O)(O)(O)O[Hf](O)(O)(O)(O2)(O6)[O]378)O5
InChi:InChI=1S/5Hf.H3O4P.11H2O.8O/c
Definition date:2002-11-12
Last modified:2023-09-23
PLL
PLL
Name:Palladium(II) allyl complex
Formula:C3 H5 Pd
SMILES:[Pd]21CC1C2
InChi:InChI=1S/C3H5.Pd/c1-3-2
Definition date:2008-01-31
Last modified:2023-09-23
Identifier:[(1,2,3-eta)-propane-1,2,3-triyl]palladium
PMR
PMR
Name:Protochlorophyllide
Formula:C35 H32 Mg N4 O5
SMILES:CCC1=C(C)C2=[N+]3C1=Cc4n5c6C(=C7C(=C(C)C8=[N+]7[Mg]35[N]9C(=C8)C(=C(C=C)C9=C2)C)CCC(O)=O)[CH](C(=O)OC)C(=O)c6c4C
InChi:InChI=1S/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22
Definition date:2008-04-24
Last modified:2023-09-23
POR
POR
Name:PORPHYRIN FE(III)
Formula:C20 H12 Fe N4
SMILES:[Fe]1n2c3ccc2C=C4C=CC(=N4)C=C5C=CC(=CC6=NC(=C3)C=C6)N15
InChi:InChI=1S/C20H12N4.Fe/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14
Definition date:1999-07-08
Last modified:2023-09-23
PTE
PTE
Name:TUNGSTOPTERIN COFACTOR
Formula:C20 H29 Mg N10 O14 P2 S4 W
SMILES:O.O.NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(=O)O[Mg]O[P](O)(=O)OC[CH]4O[CH]5NC6=C(N[CH]5C(=C4S)S[W])C(=O)NC(=N6)N)C(=C3S)S)C(=O)N1
InChi:InChI=1S/2C10H14N5O6PS2.Mg.2H2O.W/c2*11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19
Definition date:1999-07-08
Last modified:2023-09-23
Identifier:[[(5~{a}~{R},8~{R},9~{a}~{R})-2-azanyl-4-oxidanylidene-6,7-bis(sulfanyl)-3,5,5~{a},8,9~{a},10-hexahydropyrano[3,2-g]pteridin-8-yl]methoxy-oxidanyl-phosphoryl]oxy-[[(5~{a}~{R},8~{R},9~{a}~{R})-2-azanyl-4-oxidanylidene-7-sulfanyl-6-tungsteniosulfanyl-3,5,5~{a},8,9~{a},10-hexahydropyrano[3,2-g]pteridin-8-yl]methoxy-oxidanyl-phosphoryl]oxy-bis($l^{3}-oxidanyl)magnesium
PTN
PTN
Name:PLATINUM TRIAMINE ION
Formula:H9 N3 Pt
SMILES:N.N.N.[Pt++]
InChi:InChI=1S/3H3N.Pt/h3*1H3
Definition date:1999-07-08
Last modified:2023-09-23
Identifier:tris($l^{4}-azanyl)platinum(2+)
Q3Z
Q3Z
Name:Pt(NH3)2(2-(pyridin-4-ylmethyl)benzo-[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone)
Formula:C20 H17 N5 O4 Pt
SMILES:N.N.[Pt].O=C1NC(=O)c2ccc3C(=O)N(Cc4ccncc4)C(=O)c5ccc1c2c35
InChi:InChI=1S/C20H11N3O4.2H3N.Pt/c24-17-11-1-3-13-16-14(4-2-12(15(11)16)18(25)22-17)20(27)23(19(13)26)9-10-5-7-21-8-6-10
Definition date:2023-03-23
Last modified:2023-09-23
Release date:2023-06-28
C2C
C2C
Name:CU-CL-CU LINKAGE
Formula:Cl Cu2
SMILES:[Cu][Cl][Cu]
InChi:InChI=1S/ClH.2Cu/h1H
Definition date:2002-11-21
Last modified:2023-09-23
Identifier:(cuprio-$l^{2}-chloranyl)copper
C7P
C7P
Name:cis-diammine(pyridine)chloroplatinum(II)
Formula:C5 H11 Cl N3 Pt
SMILES:N.N.Cl[Pt++].c1ccncc1
InChi:InChI=1S/C5H5N.ClH.2H3N.Pt/c1-2-4-6-5-3-1
Definition date:2008-04-03
Last modified:2023-09-23
Identifier:chloranyl-bis($l^{4}-azanyl)-pyridin-1-yl-platinum(2+)
3NK
3NK
Name:1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE
Formula:C15 H14 O3
SMILES:COc1ccc2cc(ccc2c1)C(=O)CC(C)=O
InChi:InChI=1S/C15H14O3/c1-10(16)7-15(17)13-4-3-12-9-14(18-2)6-5-11(12)8-13/h3-6,8-9H,7H2,1-2H3
Definition date:2011-09-23
Last modified:2023-09-23
Release date:2012-11-02
Identifier:1-(6-methoxynaphthalen-2-yl)butane-1,3-dione
CBY
CBY
Name:COB(II)INAMIDE
Formula:C48 H72 Co N11 O8
SMILES:[Co++].C[CH](O)CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2[N-]C1=C(C)C3=NC(=CC4=NC(=C(C)C5=N[C]2(C)[C](C)(CC(N)=O)[CH]5CCC(N)=O)[C](C)(CC(N)=O)[CH]4CCC(N)=O)C(C)(C)[CH]3CCC(N)=O
InChi:InChI=1S/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43
Definition date:2008-03-27
Last modified:2023-09-23
CCH
CCH
Name:[7-ETHENYL-12-FORMYL-3,8,13,17-TERTRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPANOATO(2)-N21,N22,N23,N24]IRON
Formula:C33 H30 Fe N4 O5
SMILES:CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=Cc4c(C)c3C=C)C(=C6C)C=O)C(=C(CCC(O)=O)C5=C2)C
InChi:InChI=1S/C33H32N4O5.Fe/c1-6-20-16(2)26-13-31-23(15-38)19(5)25(37-31)11-24-17(3)21(7-9-32(39)40)29(35-24)14-30-22(8-10-33(41)42)18(4)27(36-30)12-28(20)34-26
Synonyms:CLOROCRUORO HEM
Definition date:1999-07-08
Last modified:2023-09-23
CFM
CFM
Name:FE-MO-S CLUSTER
Formula:Fe7 Mo S9
SMILES:S1[Fe]S[Fe]S[Mo]2S[Fe]S[Fe]S[Fe](S[Fe]1)S[Fe]S2
InChi:InChI=1S/7Fe.Mo.9S
Definition date:1999-07-08
Last modified:2023-09-23
RBU
RBU
Name:RUTHEMIUM BIS(2,2'-BIPYRIDINE)-2-IMIDAZOLE
Formula:C23 H20 N6 Ru
SMILES:[Ru].[nH]1ccnc1.c2ccc(nc2)c3ccccn3.c4ccc(nc4)c5ccccn5
InChi:InChI=1S/2C10H8N2.C3H4N2.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10
Definition date:1999-07-08
Last modified:2023-09-23
Identifier:1~{H}-imidazol-3-yl-bis(2-pyridin-2-ylpyridin-1-yl)ruthenium
CLF
CLF
Name:FE(8)-S(7) CLUSTER
Formula:Fe8 S7
SMILES:S1[Fe]S[Fe]2S[Fe][S]234([Fe]1)[Fe]S[Fe]S[Fe]3S[Fe]4
InChi:InChI=1S/8Fe.7S
Definition date:1999-07-08
Last modified:2023-09-23
CLN
CLN
Name:SULFUR SUBSTITUTED PROTOPORPHYRIN IX
Formula:C34 H32 Fe N4 O4 S
SMILES:CC1=C(CCC(O)=O)C2=Cc3n4[Fe][N]5C(=CC1=N2)C(=C(C=C)C5=CC6=NC(=Cc4c(C)c3CCC(O)=O)[CH]7C=CS[C]67C)C
InChi:InChI=1S/C34H34N4O4S.Fe/c1-6-20-17(2)24-13-25-18(3)21(7-9-32(39)40)27(35-25)15-28-22(8-10-33(41)42)19(4)26(36-28)14-30-23-11-12-43-34(23,5)31(38-30)16-29(20)37-24
Definition date:1999-07-08
Last modified:2023-09-23
CLP
CLP
Name:FE-S CLUSTER
Formula:Fe8 S8
SMILES:S1[Fe]S[Fe]2S[Fe][S]2([Fe]1)[S]34[Fe]S[Fe]S[Fe]3S[Fe]4
InChi:InChI=1S/8Fe.S2.6S/c
Definition date:1999-07-08
Last modified:2023-09-23
CN1
CN1
Name:OXO-IRON CLUSTER 2
Formula:Fe3 H9 O12
SMILES:O[Fe](O)O.O[Fe](O)(O)(O)O[Fe]1(O)(O)OO1
InChi:InChI=1S/3Fe.O2.9H2O.O/c
Definition date:2003-10-16
Last modified:2023-09-23
Identifier:[(1~{R})-3,3-bis(oxidanyl)-1-[tris(oxidanyl)ferrio]-1$l^{3},2-dioxa-3$l^{5}-ferracycloprop-3-yl]oxy-tetrakis(oxidanyl)iron
REP
REP
Name:(1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I)
Formula:C15 H8 N2 O3 Re
SMILES:[Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc3cccnc23
InChi:InChI=1S/C12H8N2.3CO.Re/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1
Definition date:2001-10-03
Last modified:2023-09-23

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數據於2024-09-11公開中

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