EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:74628 - 3-vinylbacteriochlorophyllide a
| Formula | C35H36MgN4O5 |
| Net Charge | 0 |
| Average Mass | 617.001 |
| Monoisotopic Mass | 616.25361 |
| SMILES | C=Cc1c(C)c2[n]3c1C=C1[C@H](C)[C@@H](CC)C4=[N+]1[Mg-2]31[n]3c(c(C)c5c3=C(C3=[N+]1C(=C2)[C@@H](C)[C@@H]3CCC(=O)O)[C@@H](C(=O)OC)C5=O)=C4 |
| InChI | InChI=1S/C35H38N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,16-17,20-21,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/t16-,17+,20-,21+,31-;/m1./s1 |
| InChIKey | AVEDVDGOEJPOAB-IBHSAMIZSA-L |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | 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-vinylbacteriochlorophyllide a (CHEBI:74628) is a chlorophyllide (CHEBI:38206) |
| 3-vinylbacteriochlorophyllide a (CHEBI:74628) is a dicarboxylic acid monoester (CHEBI:36244) |
| 3-vinylbacteriochlorophyllide a (CHEBI:74628) is a methyl ester (CHEBI:25248) |
| 3-vinylbacteriochlorophyllide a (CHEBI:74628) is conjugate acid of 3-vinylbacteriochlorophyllide a(1−) (CHEBI:74406) |
| Incoming Relation(s) |
| 3-vinylbacteriochlorophyllide a(1−) (CHEBI:74406) is conjugate base of 3-vinylbacteriochlorophyllide a (CHEBI:74628) |
| IUPAC Name |
|---|
| {3-[(3S,4S,13R,14R,21R)-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-13,14-dihydrophorbin-3-yl-κ4N23,N24,N25,N26]propanoato(2−)}magnesium |
| Citations |
|---|