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CHEBI:81546 - bacteriochlorophyllide a

ChEBI IDCHEBI:81546
ChEBI Namebacteriochlorophyllide a
Stars
DefinitionA chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of bacteriochlorophyll a.
Last Modified9 February 2016
DownloadsMolfile
FormulaC35H36MgN4O6
Net Charge0
Average Mass633.000
Monoisotopic Mass632.24853
SMILESCC[C@H]1C2=Cc3c(C)c4c5[n]3[Mg-2]36[n]7c(c(C)c(C(C)=O)c7=CC(=[N+]23)[C@@H]1C)=CC1=[N+]6C(=C5[C@@H](C(=O)OC)C4=O)[C@@H](CCC(=O)O)[C@@H]1C
InChIInChI=1S/C35H38N4O6.Mg/c1-8-19-14(2)21-13-26-28(18(6)40)16(4)23(37-26)11-22-15(3)20(9-10-27(41)42)32(38-22)30-31(35(44)45-7)34(43)29-17(5)24(39-33(29)30)12-25(19)36-21;/h11-15,19-20,31H,8-10H2,1-7H3,(H3,36,37,38,39,40,41,42,43);/q;+2/p-2/t14-,15+,19-,20+,31-;/m1./s1
InChIKeyPSDHRHYLLJOFOB-GDUCSYRESA-L
Species of MetaboliteComponentSourceComments
Chlorobaculum tepidum (ncbitaxon:1097) - PubMed (26088139)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
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)
bacteriochlorophyllide a (CHEBI:81546) has role bacterial metabolite (CHEBI:76969)
bacteriochlorophyllide a (CHEBI:81546) is a chlorophyllide (CHEBI:38206)
bacteriochlorophyllide a (CHEBI:81546) is a dicarboxylic acid monoester (CHEBI:36244)
bacteriochlorophyllide a (CHEBI:81546) is a methyl ester (CHEBI:25248)
bacteriochlorophyllide a (CHEBI:81546) is a methyl ketone (CHEBI:51867)
bacteriochlorophyllide a (CHEBI:81546) is conjugate acid of bacteriochlorophyllide a(2−) (CHEBI:90795)
Incoming Relation(s)
geranylgeranyl bacteriochlorophyllide a (CHEBI:91131) has functional parent bacteriochlorophyllide a (CHEBI:81546)
bacteriochlorophyllide a(2−) (CHEBI:90795) is conjugate base of bacteriochlorophyllide a (CHEBI:81546)
IUPAC Name 
{3-[(3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-13,14-dihydrophorbin-3-yl-κ4N23,N24,N25,N26]propanoato(2−)}magnesium
Manual XrefsDatabases
C18155KEGG COMPOUND
CPD-9066MetaCyc
Registry NumbersSources
Reaxys:5801151Reaxys
Citations