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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d
ChEBI ID CHEBI:131588
ChEBI ASCII Name 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d
Definition A chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyll d.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C36H38MgN4O3
Net Charge 0
Average Mass 599.018
Monoisotopic Mass 598.27943
InChI InChI=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
InChIKey OFLMPYMLTXUROB-ZWHLOQRUSA-L
SMILES C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(O)=O)C)[Mg-2]753)CC(C8C6CC)=O)C(=C4C)CC(C)C)C(=C2C)C=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Xref Database
CPD-18844 MetaCyc
View more database links
Last Modified
18 March 2016