CHEBI:90967 - 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1−)

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ChEBI Name 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1−)
ChEBI ID CHEBI:90967
ChEBI ASCII Name 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1-)
Definition A cyclic tetrapyrrole anion that is the conjugate base of 12-ethyl-8-isobutyl-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 C36H37MgN4O3
Net Charge -1
Average Mass 598.010
Monoisotopic Mass 597.27216
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-3/t19-,23-;/m0./s1
InChIKey OFLMPYMLTXUROB-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)CC(C)C)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-isobutyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90967) has role bacterial metabolite (CHEBI:76969)
12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90967) is a cyclic tetrapyrrole anion (CHEBI:58941)
12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90967) is a monocarboxylic acid anion (CHEBI:35757)
12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90967) is conjugate base of 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d (CHEBI:131588)
Incoming 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d (CHEBI:131588) is conjugate acid of 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90967)
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(3−)}magnesate(1−)
Synonym Source
12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d UniProt
Manual Xref Database
CPD-18844 MetaCyc
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Citation Waiting for Citations Type Source
17586634 PubMed citation SUBMITTER
Last Modified
21 November 2016