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CHEBI:29714 - cis-2-methyl-5-isopropylhexa-2,5-dienoyl-CoA
| Formula | C31H50N7O17P3S |
| Net Charge | 0 |
| Average Mass | 917.762 |
| Monoisotopic Mass | 917.21967 |
| SMILES | C=C(C/C=C(/C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(C)C |
| InChI | InChI=1S/C31H50N7O17P3S/c1-17(2)18(3)7-8-19(4)30(43)59-12-11-33-21(39)9-10-34-28(42)25(41)31(5,6)14-52-58(49,50)55-57(47,48)51-13-20-24(54-56(44,45)46)23(40)29(53-20)38-16-37-22-26(32)35-15-36-27(22)38/h8,15-17,20,23-25,29,40-41H,3,7,9-14H2,1-2,4-6H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-8-/t20-,23-,24-,25+,29-/m1/s1 |
| InChIKey | MPYXOYHSKAAPLW-NXIRUBHOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cis-2-methyl-5-isopropylhexa-2,5-dienoyl-CoA (CHEBI:29714) has functional parent cis-2,6-dimethyl-5-methylenehept-2-enoic acid (CHEBI:23285) |
| cis-2-methyl-5-isopropylhexa-2,5-dienoyl-CoA (CHEBI:29714) is a 2-methyl-5-isopropylhexa-2,5-dienoyl-CoA (CHEBI:235537) |
| IUPAC Name |
|---|
| S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ5,5λ5-diphosphaheptadecan-17-yl} (2Z)-2,6-dimethyl-5-methylidenehept-2-enethioate |
| Synonyms | Source |
|---|---|
| cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-coenzyme A | ChEBI |
| {[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-({2-[(2-{[(2Z)-2,6-dimethyl-5-methylidenehept-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid | LIPID MAPS |
| Manual Xrefs | Databases |
|---|---|
| C11946 | KEGG COMPOUND |
| LMFA07050384 | LIPID MAPS |
| HMDB0006540 | HMDB |
| Citations |
|---|