CHEBI:90794 - 3-acetylchlorophyllide a(2−)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3-acetylchlorophyllide a(2−) ChEBI ID CHEBI:90794 ChEBI ASCII Name 3-acetylchlorophyllide a(2-) Definition A cyclic tetrapyrrole anion that is obtained from 3-acetylchlorophyllide 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 C35H32MgN4O6 Net Charge -2 Average Mass 628.958 Monoisotopic Mass 628.21832 InChI InChI=1S/C35H35N4O6.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;/h11-13,15,20H,8-10H2,1-7H3,(H3,36,37,38,39,40,41,42,43);/q-1;+2/p-3/t15-,20-;/m0./s1 InChIKey WZDANRYFDYGBNG-QNNMEKCMSA-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(=C4C)CC)C(=C2C)C(=O)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 3-acetylchlorophyllide a(2−) (CHEBI:90794) has role bacterial metabolite (CHEBI:76969) 3-acetylchlorophyllide a(2−) (CHEBI:90794) is a cyclic tetrapyrrole anion (CHEBI:58941) 3-acetylchlorophyllide a(2−) (CHEBI:90794) is a monocarboxylic acid anion (CHEBI:35757) 3-acetylchlorophyllide a(2−) (CHEBI:90794) is conjugate base of 3-acetylchlorophyllide a (CHEBI:91128) Incoming 3-acetylchlorophyllide a (CHEBI:91128) is conjugate acid of 3-acetylchlorophyllide a(2−) (CHEBI:90794) IUPAC Name {3-[(3S,4S)-9-acetyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxophorbin-3-yl-κ4N23,N24,N25,N26]propanoato(4−)}magnesate(2−) Synonyms Sources 3-acetyl-3-devinylchlorophyllide a UniProt 3-devinyl-3-acetyl-chlorophyllide a MetaCyc Manual Xref Database CPD-18840 MetaCyc View more database links Citation Type Source 26088139 PubMed citation SUBMITTER Last Modified 07 August 2016