CHEBI:81546 - bacteriochlorophyllide a

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ChEBI Name bacteriochlorophyllide a
ChEBI ID CHEBI:81546
Definition A chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of bacteriochlorophyll a.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C35H36MgN4O6
Net Charge 0
Average Mass 632.990
Monoisotopic Mass 632.24853
InChI InChI=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
InChIKey PSDHRHYLLJOFOB-GDUCSYRESA-L
SMILES C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(O)=O)C)[Mg-2]735)[C@H](C(C8C6C)=O)C(=O)OC)[C@@H]([C@H]4C)CC)C(=C2C)C(=O)C
Metabolite of Species Details
Chlorobaculum tepidum (NCBI:txid1097) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): 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).
(via porphyrins )
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ChEBI Ontology
Outgoing 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 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 Xrefs Databases
C18155 KEGG COMPOUND
CPD-9066 MetaCyc
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Registry Number Type Source
5801151 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
26088139 PubMed citation Europe PMC
Last Modified
09 February 2016