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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 8,12-diethyl-3-vinylbacteriochlorophyllide d(1−)
ChEBI ID CHEBI:90964
ChEBI ASCII Name 8,12-diethyl-3-vinylbacteriochlorophyllide d(1-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C34H33MgN4O3
Net Charge -1
Average Mass 569.957
Monoisotopic Mass 569.24086
InChI InChI=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
InChIKey MTAJKCVEQFETKU-COBSGTNCSA-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)CC)C(=C2C)C=C
ChEBI Ontology
Outgoing 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 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−)
Synonym Source
8,12-diethyl-3-vinylbacteriochlorophyllide d UniProt
Manual Xref Database
CPD-18842 MetaCyc
View more database links
Citation Waiting for Citations Type Source
17586634 PubMed citation SUBMITTER
Last Modified
21 November 2016