CHEBI | Classes | NFDI4Biodiversity BiodivPortal

ID	http://purl.obolibrary.org/obo/CHEBI_36301 http://purl.obolibrary.org/obo/CHEBI_36301 https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_36301 Loading
Preferred name	ferroheme o
Synonyms	[3,3'-{7-ethenyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24)}dipropanoato(2-)]iron HEME O
Definitions	A ferroheme having a methyl group at ring position 8 and an isoprenoid chain at position 2.

oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles	C1=2N3C(C=C4N5=C(C=C6N7C(=CC8=N(C(=C1)C(=C8CCC(O)=O)C)[Fe]735)C(=C6C)CCC(O)=O)C(=C4C)C=C)=C(C2C)[C@H](CC/C=C(C)/CC/C=C(/CCC=C(C)C)\C)O
obo_purl:charge	0
obo_purl:inchikey	FISPASSVCDRERW-ARQJTVBPSA-L
oboinowl_gen:hasDbXref	Reaxys:5374859 PDBeChem:HEO Gmelin:703238
obo_purl:IAO_0000115	A ferroheme having a methyl group at ring position 8 and an isoprenoid chain at position 2.
skos:notation	CHEBI:36301
oboinowl_gen:hasExactSynonym	[3,3'-{7-ethenyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24)}dipropanoato(2-)]iron
obo_purl:mass	840.871
obo_purl: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-2/b29-16+,30-18+,38-24-,39-25-,40-26-,41-24-,42-25-,43-27-,44-27-,45-26-;/t46-;/m0./s1
obo_purl:formula	C49H60FeN4O5
obo_purl:is_conjugate_acid_of	http://purl.obolibrary.org/obo/CHEBI_60530
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym	HEME O
oboinowl_gen:id	CHEBI:36301
rdfs:label	ferroheme o
obo_purl:monoisotopicmass	838.37566
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_24480 http://purl.obolibrary.org/obo/CHEBI_38573

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