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CHEBI:62812 - heme d trans-diol

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:
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)
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
haem d trans-diolChEBI
ferroheme d trans-diolChEBI
Citations