EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:131588 - 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d

ChEBI IDCHEBI:131588
ChEBI Name12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d
Stars
ASCII Name12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d
DefinitionA chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyll d.
Last Modified18 March 2016
SubmitterSteve
DownloadsMolfile
FormulaC36H38MgN4O3
Net Charge0
Average Mass599.030
Monoisotopic Mass598.27943
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(CC(C)C)=C1C
InChIInChI=1S/C36H40N4O3.Mg/c1-8-21-18(5)26-14-28-19(6)23(10-11-33(42)43)35(39-28)25-13-32(41)34-22(9-2)30(40-36(25)34)16-31-24(12-17(3)4)20(7)27(38-31)15-29(21)37-26;/h8,14-17,19,23H,1,9-13H2,2-7H3,(H3,37,38,39,40,41,42,43);/q;+2/p-2/t19-,23-;/m0./s1
InChIKeyOFLMPYMLTXUROB-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-isobutyl-3-vinylbacteriochlorophyllide d (CHEBI:131588) has role bacterial metabolite (CHEBI:76969)
12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d (CHEBI:131588) is a chlorophyllide (CHEBI:38206)
12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d (CHEBI:131588) is a monocarboxylic acid (CHEBI:25384)
12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d (CHEBI:131588) is conjugate acid of 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90967)
Incoming Relation(s)
12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90967) is conjugate base of 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d (CHEBI:131588)
IUPAC Name 
{3-[(3S,4S)-9-ethenyl-18-ethyl-4,8,13-trimethyl-14-(2-methylpropyl)-20-oxophorbin-3-yl-κ4N23,N24,N25,N26]propanoato(2−)}magnesium
Manual XrefsDatabases
CPD-18844MetaCyc