MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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Fe(III)-heme b

MNXM53300 is deprecated and here replaced by MNXM737848
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM737848
reference	chebi:55376
formula	C₃₄H₃₀FeN₄O₄
global charge	-1
mol weight	614.483
InChIKey	GGIDWJQWCUJYRY-RGGAHWMASA-J
InChI	InChI=1S/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;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+3/p-4/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
SMILES	C=CC1=C(C)C2=CC3=C(C=C)C(C)=C4C=C5C(C)=C(CCC(=O)[O-])C6=[N+]5[Fe-]5(N7C(=CC1=[N+]25)C(C)=C(CCC(=O)[O-])C7=C6)N43

MNX internals

InChI (mnx)	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;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+3/b25-13-,26-13-,27-14-,28-15?,29-14?,30-15-,31-16?,32-16-;
SMILES (mnx)	[CH2:1]=[CH:7][C:21]1=[C:17]([CH3:3])/[C:25]2=[CH:13]/[C:26]3=[N:37][C:31](=[CH:16][C:32]4=[N:38][C:28](=[CH:15][C:30]5=[C:22]([CH:8]=[CH2:2])[C:18]([CH3:4])=[C:27]([CH:14]=[C:29]1[N-:35]2)[NH2+:36]5)[C:20]([CH3:6])=[C:24]4[CH2:10][CH2:12][C:34](=[O:41])[OH:42])[C:23]([CH2:9][CH2:11][C:33](=[O:39])[OH:40])=[C:19]3[CH3:5].[Fe+3:43]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-6789084 reactomeM:R-ALL-6789084 reactome:R-ALL-8855485 reactomeM:R-ALL-8855485 CHEBI:55376 chebi:55376 GGIDWJQWCUJYRY-RGGAHWMASA-J	Fe(III)-heme b [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24))dipropanoato(4-)]iron(1-) ferriheme b(1-)
reactome:R-ALL-1368125 reactomeM:R-ALL-1368125 reactome:R-ALL-198853 reactomeM:R-ALL-198853 reactome:R-ALL-2230943 reactomeM:R-ALL-2230943 reactome:R-ALL-917795 reactomeM:R-ALL-917795 reactome:R-ALL-917955 reactomeM:R-ALL-917955 reactome:R-ALL-9707685 reactomeM:R-ALL-9707685 CHEBI:36144 chebi:36144	ferriheme b (protoporphyrinato)iron(1+) (protoporphyrinato)iron(III) [Fe(ppIX)](+) ferriheme ferriprotoheme protoferriheme
metacyc.compound:CPD-11675 metacycM:CPD-11675 GGIDWJQWCUJYRY-NNCSDMGMSA-J	ferriheme b Fe-protoporphyrin IX ferriprotoporphyrin IX
chebi:60515	secondary/obsolete/fantasy identifier