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CHEBI:61147 - ferroheme d1

ChEBI IDCHEBI:61147
ChEBI Nameferroheme d1
Stars
ASCII Nameferroheme d1
DefinitionA ferroheme having four carboxy groups and oxo groups on two of the pyrrole rings.
Secondary ChEBI IDCHEBI:62800
Last Modified26 August 2011
SubmitterGareth Owen, Steve
DownloadsMolfile
FormulaC34H30FeN4O10
Net Charge0
Average Mass710.477
Monoisotopic Mass710.13113
SMILESCc1c(CCC(=O)O)c2[n]3c1C=C1C(=O)[C@](C)(CC(=O)O)C4=[N+]1[Fe-2]31[n]3c(c(C)c(/C=C/C(=O)O)c3=C2)=CC2=[N+]1C(=C4)C(=O)[C@]2(C)CC(=O)O
InChIInChI=1S/C34H32N4O10.Fe/c1-15-17(5-7-27(39)40)21-10-22-18(6-8-28(41)42)16(2)20(36-22)11-25-33(3,13-29(43)44)32(48)24(38-25)12-26-34(4,14-30(45)46)31(47)23(37-26)9-19(15)35-21;/h6,8-12H,5,7,13-14H2,1-4H3,(H6,35,36,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-2/b8-6+;/t33-,34-;/m1./s1
InChIKeyYTCKFKAUGWIMPJ-FSQDTXDGSA-L
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
prosthetic group  A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity.
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
ChEBI Ontology
Outgoing Relation(s)
ferroheme d1 (CHEBI:61147) is a diketone (CHEBI:46640)
ferroheme d1 (CHEBI:61147) is a ferroheme (CHEBI:38573)
ferroheme d1 (CHEBI:61147) is a metallochlorin (CHEBI:62804)
ferroheme d1 (CHEBI:61147) is a tetracarboxylic acid (CHEBI:35742)
ferroheme d1 (CHEBI:61147) is conjugate acid of ferroheme d1(4−) (CHEBI:60549)
Incoming Relation(s)
ferroheme d1(4−) (CHEBI:60549) is conjugate base of ferroheme d1 (CHEBI:61147)
IUPAC Names 
{3-[18-(2-carboxyethyl)-7,12-bis(carboxymethyl)-3,7,12,17-tetramethyl-8,13-dioxo-7,8,12,13-tetrahydroporphyrin-2-yl--κ4N21,N22,N23,N24]acrylato(2−)}iron
[(2E)-3-[(7R,12R)-18-(2-carboxyethyl)-7,12-bis(carboxymethyl)-3,7,12,17-tetramethyl-8,13-dioxo-7,8,12,13-tetrahydroporphyrin-2-yl-κ4N21,N22,N23,N24]prop-2-enoato(2−)]iron
Synonyms  Source
heme d1ChEBI
haem d1ChEBI
dionehemeChEBI
Citations