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CHEBI:90967 - 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1−)
| Formula | C36H37MgN4O3 |
| Net Charge | -1 |
| Average Mass | 598.022 |
| Monoisotopic Mass | 597.27216 |
| SMILES | C=Cc1c(C)c2[n]3c1=CC1=[N+]4C(=Cc5c(CC)c6c7[n]5[Mg-2]34[N+]3=C(C=2)[C@@H](C)[C@H](CCC(=O)[O-])C3=C7CC6=O)C(CC(C)C)=C1C |
| InChI | InChI=1S/C36H40N4O3.Mg/c1-8-21-18(5)26-14-28-19(6)23(10-11-33(42)43)35(39-28)25-13-32(41)34-22(9-2)30(40-36(25)34)16-31-24(12-17(3)4)20(7)27(38-31)15-29(21)37-26;/h8,14-17,19,23H,1,9-13H2,2-7H3,(H3,37,38,39,40,41,42,43);/q;+2/p-3/t19-,23-;/m0./s1 |
| InChIKey | OFLMPYMLTXUROB-ZWHLOQRUSA-K |
| Roles Classification |
|---|
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90967) has role bacterial metabolite (CHEBI:76969) |
| 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90967) is a cyclic tetrapyrrole anion (CHEBI:58941) |
| 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90967) is a monocarboxylic acid anion (CHEBI:35757) |
| 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90967) is conjugate base of 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d (CHEBI:131588) |
| Incoming Relation(s) |
| 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d (CHEBI:131588) is conjugate acid of 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90967) |
| IUPAC Name |
|---|
| {3-[(3S,4S)-9-ethenyl-18-ethyl-4,8,13-trimethyl-14-(2-methylpropyl)-20-oxophorbin-3-yl-κ4N23,N24,N25,N26]propanoato(3−)}magnesate(1−) |
| UniProt Name | Source |
|---|---|
| 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-18844 | MetaCyc |
| Citations |
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