Fe(II)-heme i(2-) (CHEBI:147291)

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CHEBI:147291 - Fe(II)-heme i(2−)

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ChEBI ID	CHEBI:147291
ChEBI Name	Fe(II)-heme i(2−)
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ASCII Name	Fe(II)-heme i(2-)
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C49H56FeN4O6
Net Charge	-2
Average Mass	852.854
Monoisotopic Mass	852.35602
SMILES	C=CC1=C(C)C2=Cc3c([C@@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(C)c4[n]3[Fe-2]35[n]6c(c(C)c(CCC(=O)[O-])c6=CC6=[N+]3C(=C4)C(CO)=C6CCC(=O)[O-])=CC1=[N+]25
InChI	InChI=1S/C49H60N4O6.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;/h9,13,15,17,23-26,46,54-55H,1,10-12,14,16,18-22,27H2,2-8H3,(H4,50,51,52,53,56,57,58,59);/q;+2/p-4/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;/t46-;/m0./s1
InChIKey	DUDFUCVGSNDDBK-PRYGPKJJSA-J

ChEBI Ontology

Outgoing Relation(s)
	Fe(II)-heme i(2−) (CHEBI:147291) is a cyclic tetrapyrrole anion (CHEBI:58941)

UniProt Name	Source
Fe(II)-heme i	UniProt

Manual Xrefs	Databases
CPD-19775	MetaCyc

Citations