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ferroheme c

Properties

Image

Occurences in reactions

MNX_ID

MNXM737470

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

formula

C₃₄H₃₆FeN₄O₄S₂

charge

mass

684.15274

reference

chebi:60562

InChIKey

XSWPXBWSKQRBRZ-IDTMDVKXSA-L

InChI

InChI=1S/C34H38N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20H,7-10H2,1-6H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:60562 chebi:60562	ferroheme c heme c {3,3'-[3,7,12,17-tetramethyl-8,13-bis(1-sulfanylethyl)porphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24)]dipropanoato(2-)}iron
sabiork.compound:28348 sabiorkM:28348	Heme c
metacyc.compound:CPD-17061 metacycM:CPD-17061	ferroheme c
CHEBI:61717 chebi:61717	heme c ferroheme c(2-) {3,3'-[3,7,12,17-tetramethyl-8,13-bis(1-sulfanylethyl)porphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24)]dipropanoato(4-)}ferrate(2-)