CHEBI:90966 - 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1−)

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ChEBI Name 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1−)
ChEBI ID CHEBI:90966
ChEBI ASCII Name 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1-)
Definition A cyclic tetrapyrrole anion that is the conjugate base of 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C35H35MgN4O3
Net Charge -1
Average Mass 583.984
Monoisotopic Mass 583.25651
InChI InChI=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-3/t19-,23-;/m0./s1
InChIKey KEGFWQJFYCEKAJ-ZWHLOQRUSA-K
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)CCC)C(=C2C)C=C
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90966) has role bacterial metabolite (CHEBI:76969)
12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90966) is a cyclic tetrapyrrole anion (CHEBI:58941)
12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90966) is a monocarboxylic acid anion (CHEBI:35757)
12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90966) is conjugate base of 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d (CHEBI:131587)
Incoming 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d (CHEBI:131587) is conjugate acid of 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90966)
IUPAC Name
{3-[(3S,4S)-9-ethenyl-18-ethyl-4,8,13-trimethyl-20-oxo-14-propylphorbin-3-yl-κ4N23,N24,N25,N26]propanoato(3−)}magnesate(1−)
Synonym Source
12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d UniProt
Manual Xref Database
CPD-18843 MetaCyc
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Citation Waiting for Citations Type Source
17586634 PubMed citation SUBMITTER
Last Modified
21 November 2016