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heme b

PropertiesImage
MNX_IDMNXM249 Image of MNXM249
referencechebi:60344
formulaC34H30FeN4O4
global charge-2
mol weight614.483
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-J
InChIInChI=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;+2/p-4/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
SMILESC=CC1=C(C)C2=CC3=C(C=C)C(C)=C4C=C5C(C)=C(CCC(=O)[O-])C6=[N+]5[Fe-2]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;+2/b25-13-,26-13-,27-14-,28-15?,29-14?,30-15-,31-16?,32-16-; Image of MNXM249
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+2:43]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)86
in models (compartimentalized) 48
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-113569
reactomeM:R-ALL-113569
reactome:R-ALL-189444
reactomeM:R-ALL-189444
reactome:R-ALL-198842
reactomeM:R-ALL-198842
reactome:R-ALL-2230964
reactomeM:R-ALL-2230964
reactome:R-ALL-4655330
reactomeM:R-ALL-4655330
reactome:R-ALL-71185
reactomeM:R-ALL-71185
reactome:R-ALL-917877
reactomeM:R-ALL-917877
reactome:R-ALL-917919
reactomeM:R-ALL-917919
reactome:R-ALL-9707665
reactomeM:R-ALL-9707665
CHEBI:60344
chebi:60344
KABFMIBPWCXCRK-RGGAHWMASA-J 		heme b
Fe(II)-heme b(2-)
[3,3'-(3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24))dipropanoato(4-)]ferrate(2-)
ferroheme b(2-)
hmdb:HMDB0003178
KABFMIBPWCXCRK-RGGAHWMASA-L 		Heme
4,20-bis(2-carboxyethyl)-10,15-diethenyl-5,9,14,19-tetramethyl-2lambda5,22,23lambda5,25-tetraaza-1-ferraoctacyclo[11.9.1.1^{1,8}.1^{3,21}.0^{2,6}.0^{16,23}.0^{18,22}.0^{11,25}]pentacosa-2,4,6,8,10,12,14,16(23),17,19,21(24)-undecaene-2,23-bis(ylium)-1,1-diuide
Fe(ppix)
Ferroprotoheme
Ferroprotoporphyrin IX
Ferrous protoheme
Ferrous protoheme IX
Haem
Heme b
Iron(II) protoporphyrin IX
Protoferroheme
Protoheme
Protoheme IX
[3,7,12,17-Tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2-)]iron(II)
[Fe(ppix)]

kegg.compound:C00032
keggC:C00032
KABFMIBPWCXCRK-RGGAHWMASA-L 		Heme
Haem
Heme B
Protoheme
Protoheme IX

sabiork.compound:5000
sabiorkM:5000
KABFMIBPWCXCRK-RGGAHWMASA-L 		Heme
Haem
Protoheme
Protoheme IX

bigg.metabolite:pheme
biggM:pheme
KABFMIBPWCXCRK-MCYZKGPPSA-J 		Protoheme

CHEBI:17627
chebi:17627
KABFMIBPWCXCRK-RGGAHWMASA-L 		ferroheme b
(protoporphyrinato)iron(II)
Fe(II) heme b
Fe(II)-heme b
Fe(ppIX)
Haem
Heme
Protoheme
[3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2-)]iron(II)
[Fe(ppIX)]
ferroprotoheme
ferroprotoporphyrin IX
ferrous protoheme
ferrous protoheme IX
iron(II) protoporphyrin IX
protoferroheme

reactome:R-ALL-2168843
reactomeM:R-ALL-2168843
reactome:R-ALL-2311355
reactomeM:R-ALL-2311355
reactome:R-ALL-9853511
reactomeM:R-ALL-9853511
reactome:R-ALL-9861434
reactomeM:R-ALL-9861434
CHEBI:26355
chebi:26355 		heme b
(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-dipropanoato)iron
(protoporphyrinato)iron
Haem
Heme B
PROTOPORPHYRIN IX CONTAINING FE
Protoheme
Protoheme IX
[3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2-)]iron
haem b
heme
protoheme

metacyc.compound:PROTOHEME
metacycM:PROTOHEME
KABFMIBPWCXCRK-NNCSDMGMSA-J 		protoheme
ferroheme b
ferroprotoporphyrin IX
protoheme IX

hmdb:HMDB03178
chebi:14957
chebi:5651
biggM:M_pheme
keggC:M_C00032 		secondary/obsolete/fantasy identifier