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HB1

HB1
Name:	RUTHENIUM-PYRIDOCARBAZOLE-1
Formula:	C23 H13 N3 O3 Ru
SMILES:	[Ru].O=C1NC(=O)c2c1c3cccnc3c4[nH]c5ccccc5c24.[C-]#[O+].C6=C[CH]=[C]=[CH]6
InChi:	InChI=1S/C17H9N3O2.C5H4.CO.Ru/c21-16-12-9-5-3-7-18-14(9)15-11(13(12)17(22)20-16)8-4-1-2-6-10(8)19-15
Definition date:	2005-08-18
Last modified:	2023-09-23

HC0

HC0
Name:	2 IRON/2 SULFUR/6 CARBONYL/1 WATER INORGANIC CLUSTER
Formula:	C6 H7 Fe2 O7 S2
SMILES:	O.O=C[Fe]12(S[Fe](S1)(C=O)(C=O)(C=O)C2=O)C=O
InChi:	InChI=1S/5CHO.CO.2Fe.H2O.2S/c6*1-2
Definition date:	1999-08-24
Last modified:	2023-09-23
Identifier:	3-$l^{3}-oxidanyl-5-oxidanylidene-2,4-dithia-1$l^{7},3$l^{7}-diferratricyclo[1.1.1.0^{1,3}]pentane-1,1,1,3,3-pentacarbaldehyde

HC1

HC1
Name:	2 IRON/2 SULFUR/5 CARBONYL/2 WATER INORGANIC CLUSTER
Formula:	C5 H8 Fe2 O7 S2
SMILES:	O.O.O=C[Fe]12(S[Fe](S1)(C=O)(C=O)C2=O)C=O
InChi:	InChI=1S/4CHO.CO.2Fe.2H2O.2S/c5*1-2
Definition date:	1999-08-23
Last modified:	2023-09-23
Identifier:	1,3-bis($l^{3}-oxidanyl)-5-oxidanylidene-2,4-dithia-1$l^{7},3$l^{7}-diferratricyclo[1.1.1.0^{1,3}]pentane-1,1,3,3-tetracarbaldehyde

HCN

HCN
Name:	2 IRON/2 SULFUR/3 CARBONYL/2 CYANIDE/WATER/METHYLETHER CLUSTER
Formula:	C7 H10 Fe2 N2 O5 S2
SMILES:	O.O=C[Fe]12(C#N)[SH]3COC[SH]1[Fe]3(C=O)(C#N)C2=O
InChi:	InChI=1S/C2H6OS2.2CN.2CHO.CO.2Fe.H2O/c4-1-3-2-5
Definition date:	2008-03-31
Last modified:	2023-09-23

HE6

HE6
Name:	6,7-DICARBOXYL-1,2,3,4,5,8-HEXAMETHYLHEMIN
Formula:	C28 H24 Fe N4 O4
SMILES:	CC1=C(C)C2=NC1=Cc3n4[Fe][N]5C(=C2)C(=C(C(O)=O)C5=CC6=NC(=Cc4c(C)c3C)C(=C6C(O)=O)C)C
InChi:	InChI=1S/C28H26N4O4.Fe/c1-11-13(3)19-8-21-15(5)25(27(33)34)23(31-21)10-24-26(28(35)36)16(6)22(32-24)9-20-14(4)12(2)18(30-20)7-17(11)29-19
Definition date:	1999-07-08
Last modified:	2023-09-23

HEB

HEB
Name:	HEME B/C
Formula:	C34 H34 Fe N4 O4
SMILES:	CCC1=C(C)C2=NC1=Cc3n4[Fe][N]5C(=C2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4c(C=C)c3C)C(=C6CCC(O)=O)C)C
InChi:	InChI=1S/C34H36N4O4.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:	HYBRID BETWEEN B AND C TYPE HEMES (PROTOPORPHYRIN IX CONTAINING FE)
Definition date:	1999-07-08
Last modified:	2023-09-23

HEG

HEG
Name:	PROTOPORPHYRIN IX CONTAINING MG
Formula:	C34 H32 Mg N4 O4
SMILES:	Cc1c(CCC(O)=O)c2C=C3C(=C(C)C4=[N+]3[Mg]56n2c1C=C7C(=C(C)C(=[N+]57)C=C8[N]6C(=C4)C(=C8C=C)C)C=C)CCC(O)=O
InChi:	InChI=1S/C34H34N4O4.Mg/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
Definition date:	1999-07-08
Last modified:	2023-09-23

HEV

HEV
Name:	5,8-DIMETHYL-1,2,3,4-TETRAVINYLPORPHINE-6,7-DIPROPIONIC ACID FERROUS COMPLEX
Formula:	C36 H32 Fe N4 O4
SMILES:	CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=Cc4c(C=C)c3C=C)C(=C6C=C)C=C)C(=C(CCC(O)=O)C5=C2)C
InChi:	InChI=1S/C36H34N4O4.Fe/c1-7-21-23(9-3)31-17-32-24(10-4)22(8-2)30(40-32)16-28-20(6)26(12-14-36(43)44)34(38-28)18-33-25(11-13-35(41)42)19(5)27(37-33)15-29(21)39-31
Synonyms:	1,3-DEDIMETHYL-1,3-DIVINYL HEME
Definition date:	2000-04-13
Last modified:	2023-09-23

HF3

HF3
Name:	SMALLEST HF-OXO-PHOSPHATE CLUSTER HF3
Formula:	H7 Hf3 O15 P
SMILES:	O[Hf]12(O)O[P]3(=O)O[Hf]4(O)(O)(O1)O[Hf](O)(O)(O)(O3)(O2)O4
InChi:	InChI=1S/3Hf.H3O4P.7H2O.4O/c
Definition date:	2002-11-12
Last modified:	2023-09-23

HIF

HIF
Name:	FE(III)-(4-MESOPORPHYRINONE)
Formula:	C34 H36 Fe N4 O5
SMILES:	CCc1c(C)c2C=C3N=C(C=C4[N]5[Fe]n2c1C=C6N=C(C=C5C(=C4CCC(O)=O)C)C(=O)[C]6(C)CC)C(=C3C)CCC(O)=O
InChi:	InChI=1S/C34H38N4O5.Fe/c1-7-20-17(3)23-13-24-18(4)21(9-11-31(39)40)26(35-24)15-27-22(10-12-32(41)42)19(5)25(36-27)14-29-33(43)34(6,8-2)30(38-29)16-28(20)37-23
Synonyms:	FE-MESOPONE
Definition date:	2002-01-22
Last modified:	2023-09-23

HKL

HKL
Name:	Fe(III) pyropheophorbide-a methyl ester
Formula:	C34 H34 Fe N4 O3
SMILES:	CCC1=C(C)C2=Cc3n4[Fe][N]5C(=CC1=N2)C(=C6C(=O)CC(=C56)C7=NC(=Cc4c(C)c3C=C)[CH](C)[CH]7CCC(=O)OC)C
InChi:	InChI=1S/C34H35N4O3.Fe/c1-8-20-16(3)24-13-26-18(5)22(10-11-31(40)41-7)33(37-26)23-12-30(39)32-19(6)27(38-34(23)32)15-29-21(9-2)17(4)25(36-29)14-28(20)35-24
Definition date:	2008-01-14
Last modified:	2023-09-23

HNI

HNI
Name:	PROTOPORPHYRIN IX CONTAINING NI(II)
Formula:	C34 H32 N4 Ni O4
SMILES:	CC1=C(CCC(O)=O)C2=Cc3n4[Ni][N]5C(=CC1=N2)C(=C(C=C)C5=CC6=NC(=Cc4c(C)c3CCC(O)=O)C(=C6C)C=C)C
InChi:	InChI=1S/C34H34N4O4.Ni/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
Definition date:	1999-07-08
Last modified:	2023-09-23

FLL

FLL
Name:	OCTAHEDRAL RU-PYRIDOCARBAZOLE
Formula:	C30 H18 Cl F N5 O4 Ru
SMILES:	OC1=CC2=C3C(=C4N(C=C(F)C=C4C5=C3C(=O)NC5=O)[Ru](Cl)N(Cc6ccccn6)c7ccccc7)N=C2C=C1.[C-]#[O+]
InChi:	InChI=1S/C17H8FN3O3.C12H11N2.CO.ClH.Ru/c18-6-3-9-12-13(17(24)21-16(12)23)11-8-4-7(22)1-2-10(8)20-15(11)14(9)19-5-6
Definition date:	2009-01-29
Last modified:	2023-09-23

FNE

FNE
Name:	(MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS,S)NICKEL(II)](FE-NI)
Formula:	C3 Fe Ni O3 S
SMILES:	[Fe]S[Ni].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChi:	InChI=1S/3CO.Fe.Ni.S/c3*1-2
Definition date:	2000-06-21
Last modified:	2023-09-23
Identifier:	3,3,3-tris($l^{3}-oxidanylidynemethyl)-1-thia-2$l^{2}-nickela-3$l^{5}-ferracyclopropane

ICA

ICA
Name:	ISOCITRATE CALCIUM COMPLEX
Formula:	C6 H7 Ca O7
SMILES:	OC(=O)C[CH]([CH](O[Ca])C(O)=O)C(O)=O
InChi:	InChI=1S/C6H7O7.Ca.H/c7-3(8)1-2(5(10)11)4(9)6(12)13
Definition date:	1999-07-08
Last modified:	2023-09-23
Identifier:	[(2~{R},3~{S})-3-carboxy-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]oxycalcium

IMF

IMF
Name:	TETRA(IMIDAZOLE)DIAQUACOPPER (I)
Formula:	C12 H20 Cu N8 O2
SMILES:	O.O.[Cu+].[nH]1ccnc1.[nH]2ccnc2.[nH]3ccnc3.[nH]4ccnc4
InChi:	InChI=1S/4C3H4N2.Cu.2H2O/c4*1-2-5-3-4-1
Definition date:	2001-10-08
Last modified:	2023-09-23
Identifier:	tetrakis(1~{H}-imidazol-3-yl)-bis($l^{3}-oxidanyl)copper(1+)

DDH

DDH
Name:	[7,12-DEACETYL-3,8,13,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPANOATO(2-)-N21,N22,N23,N24]-IRON
Formula:	C34 H32 Fe N4 O6
SMILES:	CC(=O)c1c(C)c2C=C3N=C(C=C4[N]5[Fe]n2c1C=C6N=C(C=C5C(=C4C)CCC(O)=O)C(=C6C)CCC(O)=O)C(=C3C(O)=C)C
InChi:	InChI=1S/C34H34N4O6.Fe/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27
Synonyms:	DIACETYLDEUTEROHEME
Definition date:	1999-07-08
Last modified:	2023-09-23

DEF

DEF
Name:	DEFEROXAMINE MESYLATE FE(III) COMPLEX
Formula:	C27 H49 Fe N6 O11 S
SMILES:	CCC(=O)[N]1CCCCCNC(=O)CCC(=O)[N]2CCCCCNC(=O)CCC(=O)N(CCCCCNO[S](C)(=O)=O)O[Fe](O1)O2
InChi:	InChI=1S/C27H49N6O11S.Fe/c1-3-25(36)31(39)20-10-4-7-17-28-23(34)13-15-26(37)32(40)21-11-5-8-18-29-24(35)14-16-27(38)33(41)22-12-6-9-19-30-44-45(2,42)43
Definition date:	2001-10-16
Last modified:	2023-09-23

DHE

DHE
Name:	HEME D
Formula:	C34 H32 Fe N4 O10
SMILES:	CC1=C(CCC(O)=O)C2=Cc3n4[Fe][N]2C1=CC5=NC(=CC6=NC(=Cc4c(C)c3CCC(O)=O)[C](C)(CC(O)=O)C6=O)[C](C)(CC(O)=O)C5=O
InChi:	InChI=1S/C34H34N4O10.Fe/c1-15-17(5-7-27(39)40)21-10-22-18(6-8-28(41)42)16(2)20(36-22)11-25-33(3,13-29(43)44)32(48)24(38-25)12-26-34(4,14-30(45)46)31(47)23(37-26)9-19(15)35-21
Definition date:	1999-07-08
Last modified:	2023-09-23

B17

B17
Name:	{1-[4-(AMINOSULFONYL)PHENYL]-11-[(CARBOXY-KAPPAO)METHYL]-1-OXO-5,8-DIOXA-2,11-DIAZATRIDECAN-13-OATO(2-)-KAPPAO~13~}COPPER
Formula:	C17 H23 Cu N3 O9 S
SMILES:	O=C1O[Cu]OC(=O)CN(C1)CCOCCOCCNC(=O)c2ccc(cc2)S(=O)(=O)N
InChi:	InChI=1S/C17H25N3O9S.Cu/c18-30(26,27)14-3-1-13(2-4-14)17(25)19-5-7-28-9-10-29-8-6-20(11-15(21)22)12-16(23)24
Definition date:	2006-03-27
Last modified:	2023-09-23
Identifier:	{11-[(carboxy-kappaO)methyl]-1-oxo-1-(4-sulfamoylphenyl)-5,8-dioxa-2,11-diazatridecan-13-oato(2-)-kappaO~13~}copper

B1M

B1M
Name:	CO-5-METHOXYBENZIMIDAZOLYLCOBAMIDE
Formula:	C61 H86 Co N13 O15 P
SMILES:	COc1ccc2n(cnc2c1)[CH]3O[CH](CO)[CH](O[P]([OH-])(=O)O[CH](C)CNC(=O)CC[C]4(C)[CH](CC(N)=O)C5=[N+]6C4=C(C)C7=[N+]8C(=CC9=[N+]%10C(=C(C)C%11=[N+]([C]5(C)[C](C)(CC(N)=O)[CH]%11CCC(N)=O)[Co]68%10)[C](C)(CC(N)=O)[CH]9CCC(N)=O)C(C)(C)[CH]7CCC(N)=O)[CH]3O
InChi:	InChI=1S/C61H86N13O15P.Co/c1-29(88-90(84,85)89-52-40(27-75)87-56(51(52)83)74-28-69-38-21-32(86-10)11-15-39(38)74)26-68-48(82)19-20-58(6)36(22-45(65)79)55-61(9)60(8,25-47(67)81)35(14-18-44(64)78)50(73-61)31(3)54-59(7,24-46(66)80)33(12-16-42(62)76)37(70-54)23-41-57(4,5)34(13-17-43(63)77)49(71-41)30(2)53(58)72-55
Synonyms:	FACTOR IIIM
Definition date:	2005-01-07
Last modified:	2023-09-23

JLN

JLN
Name:	5-(FORMYLAMINO)-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID
Formula:	C10 H14 N3 O10 P
SMILES:	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc(C(O)=O)c2NC=O
InChi:	InChI=1S/C10H14N3O10P/c14-3-12-8-5(10(17)18)11-2-13(8)9-7(16)6(15)4(23-9)1-22-24(19,20)21/h2-4,6-7,9,15-16H,1H2,(H,12,14)(H,17,18)(H2,19,20,21)/t4-,6-,7-,9-/m1/s1
Definition date:	2011-09-02
Last modified:	2023-09-23
Identifier:	1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-5-formamido-imidazole-4-carboxylic acid

ZLL

ZLL
Name:	4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide
Formula:	C19 H20 Br F2 N3 O
SMILES:	Fc1cc(F)cc(CN2CCN(CC2)C(=O)NCc3ccc(Br)cc3)c1
InChi:	InChI=1S/C19H20BrF2N3O/c20-16-3-1-14(2-4-16)12-23-19(26)25-7-5-24(6-8-25)13-15-9-17(21)11-18(22)10-15/h1-4,9-11H,5-8,12-13H2,(H,23,26)
Definition date:	2022-12-02
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	4-[[3,5-bis(fluoranyl)phenyl]methyl]-~{N}-[(4-bromophenyl)methyl]piperazine-1-carboxamide

XIO

XIO
Name:	[(2~{S})-2-[[4-(2-azanylethanoylamino)-7-[[(2~{S})-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]-1-oxidanylidene-1-sodiooxy-propan-2-yl]amino]-4-[3-[[(2~{S})-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]-1-oxidanylidene-1-sodiooxy-propan-2-yl]amino]-3-oxidanylidene-propyl]-7-oxidanylidene-heptanoyl]amino]-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]propanoyl]oxysodium
Formula:	C63 H59 N11 O16 S3
SMILES:	NCC(=O)N[C](CCC(=O)N[CH](Cc1c([nH]c2ccccc12)Sc3ccc(cc3)[N+]([O-])=O)C(O)=O)(CCC(=O)N[CH](Cc4c([nH]c5ccccc45)Sc6ccc(cc6)[N+]([O-])=O)C(O)=O)CCC(=O)N[CH](Cc7c([nH]c8ccccc78)Sc9ccc(cc9)[N+]([O-])=O)C(O)=O
InChi:	InChI=1S/C63H59N11O16S3/c64-34-56(78)71-63(28-25-53(75)65-50(60(79)80)31-44-41-7-1-4-10-47(41)68-57(44)91-38-19-13-35(14-20-38)72(85)86,29-26-54(76)66-51(61(81)82)32-45-42-8-2-5-11-48(42)69-58(45)92-39-21-15-36(16-22-39)73(87)88)30-27-55(77)67-52(62(83)84)33-46-43-9-3-6-12-49(43)70-59(46)93-40-23-17-37(18-24-40)74(89)90/h1-24,50-52,68-70H,25-34,64H2,(H,65,75)(H,66,76)(H,67,77)(H,71,78)(H,79,80)(H,81,82)(H,83,84)/t50-,51-,52-/m0/s1
Definition date:	2023-06-07
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	(2~{S})-2-[[4-(2-azanylethanoylamino)-7-[[(2~{S})-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-[3-[[(2~{S})-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propyl]-7-oxidanylidene-heptanoyl]amino]-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]propanoic acid

U0X

U0X
Name:	(2~{S},3~{S},4~{R},5~{S},6~{R})-2-(fluoranylmethyl)-6-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(fluoranylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-3,4,5-triol
Formula:	C12 H20 F2 O9
SMILES:	O[CH]1[CH](O)[CH](CF)O[CH](O[CH]2O[CH](CF)[CH](O)[CH](O)[CH]2O)[CH]1O
InChi:	InChI=1S/C12H20F2O9/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-12,15-20H,1-2H2/t3-,4-,5-,6-,7-,8+,9+,10-,11-,12-/m1/s1
Definition date:	2023-05-11
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{R})-2-(fluoranylmethyl)-6-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(fluoranylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-3,4,5-triol

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