CHEBI | Classes | NFDI4Biodiversity BiodivPortal

ID	http://purl.obolibrary.org/obo/CHEBI_60530 http://purl.obolibrary.org/obo/CHEBI_60530 https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_60530 Loading
Preferred name	ferroheme o(2-)
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(4-)]iron Fe(II)-heme o
Definitions	The cyclic tetrapyrrole anion that is ferroheme o protonated to pH 7.3.

oboinowl_gen:hasAlternativeId	CHEBI:61719
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles	CC(C)=CCCC(C)=C\CC\C(C)=C\CC[C@H](O)c1c(C)c2=CC3=[N+]4C(=Cc5c(CCC([O-])=O)c(C)c6C=C7C(C=C)=C(C)C8=[N+]7[Fe--]4(n56)n2c1=C8)C(CCC([O-])=O)=C3C
obo_purl:charge	-2
obo_purl:inchikey	FISPASSVCDRERW-ARQJTVBPSA-J
obo_purl:IAO_0000115	The cyclic tetrapyrrole anion that is ferroheme o protonated to pH 7.3.
skos:notation	CHEBI:60530
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(4-)]iron
obo_purl:mass	836.83800
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-4/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	C49H56FeN4O5
oboinowl_gen:hasOBONamespace	chebi_ontology
obo_purl:is_conjugate_base_of	http://purl.obolibrary.org/obo/CHEBI_36301
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym	Fe(II)-heme o
oboinowl_gen:id	CHEBI:60530
rdfs:label	ferroheme o(2-)
obo_purl:monoisotopicmass	836.36110
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_58941

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