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Heme A

Properties

Image

Occurences in reactions

MNX_ID

MNXM737850

	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	8

formula

C₄₉H₅₆FeN₄O₆

charge

mass

852.35492

reference

keggC:C15670

InChIKey

ZGGYGTCPXNDTRV-ONCSLILDSA-L

InChI

InChI=1S/C49H58N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);/q;+2/p-2/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;

SMILES

C=CC1=C(C)/C2=C/c3c(C(O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(C)c4n3[Fe]n3/c(c(C)c(CCC(=O)O)/c3=C/C3=N/C(=C\4)C(C=O)=C3CCC(=O)O)=C\C1=N2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:hemeA biggM:hemeA kegg.compound:C15670 keggC:C15670	Heme A
CHEBI:61715 chebi:61715	Fe(II)-heme a [3,3'-{7-ethenyl-17-formyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13-trimethylporphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24)}dipropanoato(4-)]ferrate(2-) ferroheme a(2-)
CHEBI:36163 chebi:36163	ferroheme a (cytoporphyrinato)iron(II) [3,3'-{7-ethenyl-17-formyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13-trimethylporphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24)}dipropanoato(2-)]iron {3,3'-[7-ethenyl-17-formyl-12-(1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl)-3,8,13-trimethylporphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24)]dipropanoato(2-)}iron
biggM:M_hemeA keggC:M_C15670	secondary/obsolete/fantasy identifier