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CHEBI:61147 - ferroheme d1

Default Structure
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:
prosthetic group  A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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 
[(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
{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
Synonyms  Source
dionehemeChEBI
haem d1ChEBI
heme d1ChEBI
Citations