EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:131587 - 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d

ChEBI IDCHEBI:131587
ChEBI Name12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d
Stars
ASCII Name12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d
DefinitionA chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of 12-ethyl-8-propyl-3-vinylbacteriochlorophyll d.
Last Modified18 March 2016
SubmitterSteve
DownloadsMolfile
FormulaC35H36MgN4O3
Net Charge0
Average Mass585.003
Monoisotopic Mass584.26378
SMILESC=Cc1c(C)c2[n]3c1=CC1=[N+]4C(=Cc5c(CC)c6c7[n]5[Mg-2]34[N+]3=C(C=2)[C@@H](C)[C@H](CCC(=O)O)C3=C7CC6=O)C(CCC)=C1C
InChIInChI=1S/C35H38N4O3.Mg/c1-7-10-22-18(5)26-15-28-20(8-2)17(4)25(36-28)14-27-19(6)23(11-12-32(41)42)34(38-27)24-13-31(40)33-21(9-3)29(39-35(24)33)16-30(22)37-26;/h8,14-16,19,23H,2,7,9-13H2,1,3-6H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/t19-,23-;/m0./s1
InChIKeyKEGFWQJFYCEKAJ-ZWHLOQRUSA-L
Species of MetaboliteComponentSourceComments
Chlorobaculum tepidum (ncbitaxon:1097) - PubMed (17586634)
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)
12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d (CHEBI:131587) has role bacterial metabolite (CHEBI:76969)
12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d (CHEBI:131587) is a chlorophyllide (CHEBI:38206)
12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d (CHEBI:131587) is a monocarboxylic acid (CHEBI:25384)
12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d (CHEBI:131587) is conjugate acid of 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90966)
Incoming Relation(s)
12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90966) is conjugate base of 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d (CHEBI:131587)
IUPAC Name 
{3-[(3S,4S)-9-ethenyl-18-ethyl-4,8,13-trimethyl-20-oxo-14-propylphorbin-3-yl-κ4N23,N24,N25,N26]propanoato(2−)}magnesium
Manual XrefsDatabases
CPD-18843MetaCyc