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CHEBI:83373 - 3-vinylbacteriochlorophyllide a(2−)

ChEBI IDCHEBI:83373
ChEBI Name3-vinylbacteriochlorophyllide a(2−)
Stars
ASCII Name3-vinylbacteriochlorophyllide a(2-)
DefinitionA cyclic tetrapyrrole anion that is obtained from 3-vinylbacteriochlorophyllide a via deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified13 January 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC35H34MgN4O5
Net Charge-2
Average Mass614.985
Monoisotopic Mass614.23906
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=C7[C-](C(=O)OC)C6=O)[C@H](CC)[C@H]1C
InChIInChI=1S/C35H37N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,16-17,20-21H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q-1;+2/p-3/t16-,17+,20-,21+;/m1./s1
InChIKeyVYWCXAUPVNMURO-GOPMSDTHSA-K
ChEBI Ontology
Outgoing Relation(s)
3-vinylbacteriochlorophyllide a(2−) (CHEBI:83373) is a cyclic tetrapyrrole anion (CHEBI:58941)
3-vinylbacteriochlorophyllide a(2−) (CHEBI:83373) is a monocarboxylic acid anion (CHEBI:35757)
3-vinylbacteriochlorophyllide a(2−) (CHEBI:83373) is conjugate base of 3-vinylbacteriochlorophyllide a(1−) (CHEBI:74406)
Incoming Relation(s)
3-vinylbacteriochlorophyllide a(1−) (CHEBI:74406) is conjugate acid of 3-vinylbacteriochlorophyllide a(2−) (CHEBI:83373)
UniProt Name  Source
3-deacetyl-3-vinylbacteriochlorophyllide aUniProt