EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:81544 - 3-(1-hydroxyethyl)bacteriochlorophyllide a
| Formula | C35H38MgN4O6 |
| Net Charge | 0 |
| Average Mass | 635.016 |
| Monoisotopic Mass | 634.26418 |
| SMILES | CC[C@H]1C2=Cc3c(C)c4c5[n]3[Mg-2]36[n]7c(c(C)c(C(C)O)c7=CC(=[N+]23)[C@@H]1C)=CC1=[N+]6C(=C5[C@@H](C(=O)OC)C4=O)[C@@H](CCC(=O)O)[C@@H]1C |
| InChI | InChI=1S/C35H40N4O6.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;/h11-15,18-20,31,40H,8-10H2,1-7H3,(H3,36,37,38,39,41,42,43);/q;+2/p-2/t14-,15+,18?,19-,20+,31-;/m1./s1 |
| InChIKey | NYDYYMZNENQZAP-GVJBDKAVSA-L |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chlorobaculum tepidum (ncbitaxon:1097) | - | PubMed (26088139) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. cofactor An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(1-hydroxyethyl)bacteriochlorophyllide a (CHEBI:81544) has role bacterial metabolite (CHEBI:76969) |
| 3-(1-hydroxyethyl)bacteriochlorophyllide a (CHEBI:81544) is a chlorophyllide (CHEBI:38206) |
| 3-(1-hydroxyethyl)bacteriochlorophyllide a (CHEBI:81544) is a dicarboxylic acid monoester (CHEBI:36244) |
| 3-(1-hydroxyethyl)bacteriochlorophyllide a (CHEBI:81544) is a methyl ester (CHEBI:25248) |
| 3-(1-hydroxyethyl)bacteriochlorophyllide a (CHEBI:81544) is conjugate acid of 3-(1-hydroxyethyl)bacteriochlorophyllide a(2−) (CHEBI:90791) |
| Incoming Relation(s) |
| 3-(1-hydroxyethyl)bacteriochlorophyllide a(2−) (CHEBI:90791) is conjugate base of 3-(1-hydroxyethyl)bacteriochlorophyllide a (CHEBI:81544) |
| IUPAC Name |
|---|
| {3-[(3S,4S,13R,14R,21R)-14-ethyl-9-(1-hydroxyethyl)-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-13,14-dihydrophorbin-3-yl-κ4N23,N24,N25,N26]propanoato(2−)}magnesium |
| Synonyms | Source |
|---|---|
| 3-Hydroxyethylbacteriochlorophyllide a | KEGG COMPOUND |
| 3-desacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a | ChEBI |
| Citations |
|---|