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Fe(II)-heme o

Properties

Image

Occurences in reactions

MNX_ID

MNXM1107744

	#reac
in my sandbox	0
in MNXref (generic)	29
in models (compartimentalized)	23

formula

C₄₉H₅₆FeN₄O₅

charge

-2

mass

836.36111

reference

chebi:60530

InChIKey

FISPASSVCDRERW-ARQJTVBPSA-J

InChI

InChI=1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,54H,1,11-13,15,17,19-23H2,2-9H3,(H4,50,51,52,53,55,56,57,58);/q;+2/p-4/b29-16+,30-18+,38-24-,39-25-,40-26-,41-24-,42-25-,43-27-,44-27-,45-26-;/t46-;/m0./s1

SMILES

C=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=O)[O-])c4n1[Fe-2]31n3c(c(C)c([C@@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c3=C2)=CC2=[N+]1C(=C4)C(CCC(=O)[O-])=C2C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:60530 chebi:60530	Fe(II)-heme o [3,3'-{7-ethenyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24)}dipropanoato(4-)]iron ferroheme o(2-)
bigg.metabolite:hemeO biggM:hemeO kegg.compound:C15672 keggC:C15672	Heme O
hmdb:HMDB0001162	Heme O 3-[(11Z,16Z)-20-(2-carboxyethyl)-15-ethenyl-10-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-5,9,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1(20),2,4,6(25),7,9,11,13(24),14,16,18-undecaen-4-yl]propanoic acid
metacyc.compound:CPD-17063 metacycM:CPD-17063	ferroheme o
hmdb:HMDB01162 chebi:61719 biggM:M_hemeO keggC:M_C15672	secondary/obsolete/fantasy identifier