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CHEBI:62812 - heme d trans-diol

Default Structure
ChEBI IDCHEBI:62812
ChEBI Nameheme d trans-diol
Stars
ASCII Nameheme d trans-diol
DefinitionA metallochlorin that is ferroheme b which is trans-dihydroxylated at positions 5 and 6.
Last Modified14 August 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H34FeN4O6
Net Charge0
Average Mass650.513
Monoisotopic Mass650.18277
SMILESC=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(C=C)c4[n]1[Fe-2]31[n]3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)[C@@](C)(O)[C@@]3(O)CCC(=O)O)=C2
InChIInChI=1S/C34H36N4O6.Fe/c1-7-20-17(3)23-13-24-19(5)22(9-10-31(39)40)28(37-24)16-30-34(44,12-11-32(41)42)33(6,43)29(38-30)15-27-21(8-2)18(4)25(36-27)14-26(20)35-23;/h7-8,13-16,43-44H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/t33-,34-;/m1./s1
InChIKeyGFRHEDKPMCXPFU-YDXXJHAFSA-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)
heme d trans-diol (CHEBI:62812) has functional parent ferroheme b (CHEBI:17627)
heme d trans-diol (CHEBI:62812) is a dicarboxylic acid (CHEBI:35692)
heme d trans-diol (CHEBI:62812) is a diol (CHEBI:23824)
heme d trans-diol (CHEBI:62812) is a ferroheme (CHEBI:38573)
heme d trans-diol (CHEBI:62812) is a metallochlorin (CHEBI:62804)
heme d trans-diol (CHEBI:62812) is a tertiary alcohol (CHEBI:26878)
heme d trans-diol (CHEBI:62812) is conjugate acid of heme d trans-diol(2−) (CHEBI:62813)
Incoming Relation(s)
heme d trans-diol(2−) (CHEBI:62813) is conjugate base of heme d trans-diol (CHEBI:62812)
IUPAC Name 
{3,3'-[(2RS,3RS)-7,12-diethenyl-2,3-dihydroxy-3,8,13,17-tetramethyl-2,3-dihydroporphyrin-2,18-diyl-κ4N21,N22,N23,N24]dipropanoato(2−)}iron
Synonyms  Source
ferroheme d trans-diolChEBI
haem d trans-diolChEBI
Citations