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siroheme

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104857

	#reac
in my sandbox	0
in MNXref (generic)	20
in models (compartimentalized)	41

formula

C₄₂H₃₆FeN₄O₁₆

charge

-8

mass

908.15196

reference

chebi:60052

InChIKey

DLKSSIHHLYNIKN-QIISWYHFSA-D

InChI

InChI=1S/C42H46N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H10,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-10/t23-,24-,41+,42+;/m1./s1

SMILES

C[C@@]1(CC(=O)[O-])C2=CC3=[N+]4C(=Cc5c(CCC(=O)[O-])c(CC(=O)[O-])c6n5[Fe-2]45N2C(=CC2=[N+]5C(=C6)[C@@H](CCC(=O)[O-])[C@]2(C)CC(=O)[O-])[C@H]1CCC(=O)[O-])C(CCC(=O)[O-])=C3CC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:60052 chebi:60052	siroheme [3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-kappaN(21),kappaN(22),kappaN(23),kappaN(24)]tetrapropanoato(10-)]ferrate(6-) siroheme hexaanion siroheme(8-)
bigg.metabolite:sheme biggM:sheme kegg.compound:C00748 keggC:C00748	Siroheme
seed.compound:cpd00557 seedM:cpd00557	Siroheme sheme siroheme
metacyc.compound:SIROHEME metacycM:SIROHEME	siroheme
reactome:R-ALL-936662 reactomeM:R-ALL-936662 CHEBI:28599 chebi:28599	siroheme SIROHEME Siroheme [3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-kappaN(21),kappaN(22),kappaN(23),kappaN(24)]tetrapropanoato(2-)]iron sirohaem
chebi:26690 chebi:9166 biggM:M_sheme keggC:M_C00748 seedM:M_cpd00557	secondary/obsolete/fantasy identifier