EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:90963 - 3-vinylbacteriochlorophyllide d(1−)

ChEBI IDCHEBI:90963
ChEBI Name3-vinylbacteriochlorophyllide d(1−)
Stars
ASCII Name3-vinylbacteriochlorophyllide d(1-)
DefinitionA cyclic tetrapyrrole anion that is the conjugate base of 3-vinylbacteriochlorophyllide d, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified21 November 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC33H31MgN4O3
Net Charge-1
Average Mass555.941
Monoisotopic Mass555.22521
SMILESC=Cc1c(C)c2[n]3c1=CC1=[N+]4C(=Cc5c(C)c6c7[n]5[Mg-2]34[N+]3=C(C=2)[C@@H](C)[C@H](CCC(=O)[O-])C3=C7CC6=O)C(CC)=C1C
InChIInChI=1S/C33H34N4O3.Mg/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H3,34,35,36,37,38,39,40);/q;+2/p-3/t17-,21-;/m0./s1
InChIKeyBJEMYNDCFDVJRP-PVMVIUQGSA-K
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-vinylbacteriochlorophyllide d(1−) (CHEBI:90963) has role bacterial metabolite (CHEBI:76969)
3-vinylbacteriochlorophyllide d(1−) (CHEBI:90963) is a cyclic tetrapyrrole anion (CHEBI:58941)
3-vinylbacteriochlorophyllide d(1−) (CHEBI:90963) is a monocarboxylic acid anion (CHEBI:35757)
3-vinylbacteriochlorophyllide d(1−) (CHEBI:90963) is conjugate base of 3-vinylbacteriochlorophyllide d (CHEBI:81548)
Incoming Relation(s)
3-vinylbacteriochlorophyllide d (CHEBI:81548) is conjugate acid of 3-vinylbacteriochlorophyllide d(1−) (CHEBI:90963)
IUPAC Name 
{3-[(3S,4S)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxophorbin-3-yl-κ4N23,N24,N25,N26]propanoato(3−)}magnesate(1−)
UniProt Name  Source
8-ethyl-12-methyl-3-vinylbacteriochlorophyllide dUniProt
Manual XrefsDatabases
CPD-18841MetaCyc
Citations