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CHEBI:81545 - 3-(1-hydroxyethyl)chlorophyllide a
| Formula | C35H36MgN4O6 |
| Net Charge | 0 |
| Average Mass | 633.000 |
| Monoisotopic Mass | 632.24853 |
| SMILES | CCC1=C(C)C2=[N+]3C1=Cc1c(C)c4c5[n]1[Mg-2]31[n]3c(c(C)c(C(C)O)c3=C2)=CC2=[N+]1C(=C5[C@@H](C(=O)OC)C4=O)[C@@H](CCC(=O)O)[C@@H]2C |
| InChI | InChI=1S/C35H38N4O6.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;/h11-13,15,18,20,31,40H,8-10H2,1-7H3,(H3,36,37,38,39,41,42,43);/q;+2/p-2/t15-,18?,20-,31+;/m0./s1 |
| InChIKey | XHIUJNYELFMQPP-MKOLCNDBSA-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)chlorophyllide a (CHEBI:81545) has role bacterial metabolite (CHEBI:76969) |
| 3-(1-hydroxyethyl)chlorophyllide a (CHEBI:81545) is a chlorophyllide (CHEBI:38206) |
| 3-(1-hydroxyethyl)chlorophyllide a (CHEBI:81545) is a dicarboxylic acid monoester (CHEBI:36244) |
| 3-(1-hydroxyethyl)chlorophyllide a (CHEBI:81545) is a methyl ester (CHEBI:25248) |
| 3-(1-hydroxyethyl)chlorophyllide a (CHEBI:81545) is conjugate acid of 3-(1-hydroxyethyl)chlorophyllide a(2−) (CHEBI:90792) |
| Incoming Relation(s) |
| 3-(1-hydroxyethyl)chlorophyllide a(2−) (CHEBI:90792) is conjugate base of 3-(1-hydroxyethyl)chlorophyllide a (CHEBI:81545) |
| IUPAC Name |
|---|
| {3-[(3S,4S,21R)-14-ethyl-9-(1-hydroxyethyl)-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxophorbin-3-yl-κ4N23,N24,N25,N26]propanoato(2−)}magnesium |
| Synonyms | Source |
|---|---|
| 3-Hydroxyethylchlorophyllide a | KEGG COMPOUND |
| 3-devinyl-3-(1-hydroxyethyl)chlorophyllide a | ChEBI |
| 3-devinyl-3-hydroxyethylchlorophyllide a | ChEBI |
| Citations |
|---|