CHEBI:90791 - 3-(1-hydroxyethyl)bacteriochlorophyllide a(2−)

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ChEBI Name 3-(1-hydroxyethyl)bacteriochlorophyllide a(2−) ChEBI ID CHEBI:90791 ChEBI ASCII Name 3-(1-hydroxyethyl)bacteriochlorophyllide a(2-) Definition A cyclic tetrapyrrole anion that is obtained from 3-(1-hydroxyethyl)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 C35H36MgN4O6 Net Charge -2 Average Mass 632.990 Monoisotopic Mass 632.24962 InChI InChI=1S/C35H39N4O6.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;/h11-15,18-20,40H,8-10H2,1-7H3,(H3,36,37,38,39,41,42,43);/q-1;+2/p-3/t14-,15+,18?,19-,20+;/m1./s1 InChIKey SKJGCVZHIGFNAI-RFWPBIQDSA-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 3-(1-hydroxyethyl)bacteriochlorophyllide a(2−) (CHEBI:90791) has role bacterial metabolite (CHEBI:76969) 3-(1-hydroxyethyl)bacteriochlorophyllide a(2−) (CHEBI:90791) is a cyclic tetrapyrrole anion (CHEBI:58941) 3-(1-hydroxyethyl)bacteriochlorophyllide a(2−) (CHEBI:90791) is a monocarboxylic acid anion (CHEBI:35757) 3-(1-hydroxyethyl)bacteriochlorophyllide a(2−) (CHEBI:90791) is conjugate base of 3-(1-hydroxyethyl)bacteriochlorophyllide a (CHEBI:81544) Incoming 3-(1-hydroxyethyl)bacteriochlorophyllide a (CHEBI:81544) is conjugate acid of 3-(1-hydroxyethyl)bacteriochlorophyllide a(2−) (CHEBI:90791) IUPAC Name {3-[(3S,4S,13R,14R)-14-ethyl-9-(1-hydroxyethyl)-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-13,14-dihydrophorbin-3-yl-κ4N23,N24,N25,N26]propanoato(4−)}magnesate(2−) Synonyms Sources 3-deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a UniProt 3-desacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a(2−) ChEBI 3-hydroxyethylbacteriochlorophyllide a(2−) ChEBI Manual Xref Database CPD-9065 MetaCyc View more database links Citation Type Source 26088139 PubMed citation SUBMITTER Last Modified 07 August 2016