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CHEBI:90964 - 8,12-diethyl-3-vinylbacteriochlorophyllide d(1−)

ChEBI IDCHEBI:90964
ChEBI Name8,12-diethyl-3-vinylbacteriochlorophyllide d(1−)
Stars
ASCII Name8,12-diethyl-3-vinylbacteriochlorophyllide d(1-)
DefinitionA cyclic tetrapyrrole anion that is the conjugate base of 8,12-diethyl-3-vinylbacteriochlorophyllide d, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified21 November 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC34H33MgN4O3
Net Charge-1
Average Mass569.968
Monoisotopic Mass569.24086
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)=C1C
InChIInChI=1S/C34H36N4O3.Mg/c1-7-19-16(4)24-13-26-18(6)22(10-11-31(40)41)33(37-26)23-12-30(39)32-21(9-3)29(38-34(23)32)15-28-20(8-2)17(5)25(36-28)14-27(19)35-24;/h7,13-15,18,22H,1,8-12H2,2-6H3,(H3,35,36,37,38,39,40,41);/q;+2/p-3/t18-,22-;/m0./s1
InChIKeyMTAJKCVEQFETKU-COBSGTNCSA-K
ChEBI Ontology
Outgoing Relation(s)
8,12-diethyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90964) is a cyclic tetrapyrrole anion (CHEBI:58941)
8,12-diethyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90964) is a monocarboxylic acid anion (CHEBI:35757)
8,12-diethyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90964) is conjugate base of 8,12-diethyl-3-vinylbacteriochlorophyllide d (CHEBI:131582)
Incoming Relation(s)
8,12-diethyl-3-vinylbacteriochlorophyllide d (CHEBI:131582) is conjugate acid of 8,12-diethyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90964)
IUPAC Name 
{3-[(3S,4S)-9-ethenyl-14,18-diethyl-4,8,13-trimethyl-20-oxophorbin-3-yl-κ4N23,N24,N25,N26]propanoato(3−)}magnesate(1−)
UniProt Name  Source
8,12-diethyl-3-vinylbacteriochlorophyllide dUniProt
Manual XrefsDatabases
CPD-18842MetaCyc
Citations