CHEBI:90795 - bacteriochlorophyllide a(2−)

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ChEBI Name bacteriochlorophyllide a(2−) ChEBI ID CHEBI:90795 ChEBI ASCII Name bacteriochlorophyllide a(2-) Definition A cyclic tetrapyrrole anion that is obtained from bacteriochlorophyllide 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.). Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C35H34MgN4O6 Net Charge -2 Average Mass 630.974 Monoisotopic Mass 630.23397 InChI InChI=1S/C35H37N4O6.Mg/c1-8-19-14(2)21-13-26-28(18(6)40)16(4)23(37-26)11-22-15(3)20(9-10-27(41)42)32(38-22)30-31(35(44)45-7)34(43)29-17(5)24(39-33(29)30)12-25(19)36-21;/h11-15,19-20H,8-10H2,1-7H3,(H3,36,37,38,39,40,41,42,43);/q-1;+2/p-3/t14-,15+,19-,20+;/m1./s1 InChIKey JFXNCOJBSRTSND-PFKXLOMBSA-K SMILES C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC([O-])=O)C)[Mg-2]735)[C-](C(C8C6C)=O)C(=O)OC)[C@@H]([C@H]4C)CC)C(=C2C)C(=O)C Metabolite of Species Details Chlorobaculum tepidum (NCBI:txid1097) See: PubMed 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 bacteriochlorophyllide a(2−) (CHEBI:90795) has role bacterial metabolite (CHEBI:76969) bacteriochlorophyllide a(2−) (CHEBI:90795) is a cyclic tetrapyrrole anion (CHEBI:58941) bacteriochlorophyllide a(2−) (CHEBI:90795) is a monocarboxylic acid anion (CHEBI:35757) bacteriochlorophyllide a(2−) (CHEBI:90795) is conjugate base of bacteriochlorophyllide a (CHEBI:81546) Incoming geranylgeranyl bacteriochlorophyllide a(1−) (CHEBI:90849) has functional parent bacteriochlorophyllide a(2−) (CHEBI:90795) bacteriochlorophyllide a (CHEBI:81546) is conjugate acid of bacteriochlorophyllide a(2−) (CHEBI:90795) IUPAC Name {3-[(3S,4S,13R,14R)-9-acetyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-13,14-dihydrophorbin-3-yl-κ4N23,N24,N25,N26]propanoato(4−)}magnesate(2−) Synonym Source bacteriochlorophyllide a UniProt Manual Xref Database CPD-9066 MetaCyc View more database links Citation Type Source 26088139 PubMed citation SUBMITTER Last Modified 08 February 2016