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hemeO

Properties

Image

Occurences in reactions

MNX_ID

MNXM727785

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	1

formula

C₄₉H₅₆FeN₄O₅

charge

-2

mass

836.36111

reference

seedM:cpd11313

InChIKey

FISPASSVCDRERW-OEMCRPOKSA-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-;

SMILES

C=CC1=C(C)C2=N/C1=C\c1c(C)c(CCC(=O)[O-])c3n1[Fe]n1/c(c(C)c(C(O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)/c1=C/2)=C\C1=N/C(=C\3)C(CCC(=O)[O-])=C1C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd11313 seedM:cpd11313	hemeO Heme O heme o
seedM:M_cpd11313	secondary/obsolete/fantasy identifier