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CHEBI:40833 - (3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid
| Formula | C38H47NO11 |
| Net Charge | 0 |
| Average Mass | 693.790 |
| Monoisotopic Mass | 693.31491 |
| SMILES | [H]OC(=O)C([H])([H])Oc1c([H])c([H])c([H])c([C@]([H])(OC(=O)[C@@]2([H])N(C(=O)[C@]([H])(c3c([H])c(OC([H])([H])[H])c(OC([H])([H])[H])c(OC([H])([H])[H])c3[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])c2c([H])c([H])c(OC([H])([H])[H])c(OC([H])([H])[H])c2[H])c1[H] |
| InChI | InChI=1S/C38H47NO11/c1-7-28(26-21-33(46-4)36(48-6)34(22-26)47-5)37(42)39-18-9-8-13-29(39)38(43)50-30(25-11-10-12-27(20-25)49-23-35(40)41)16-14-24-15-17-31(44-2)32(19-24)45-3/h10-12,15,17,19-22,28-30H,7-9,13-14,16,18,23H2,1-6H3,(H,40,41)/t28-,29-,30+/m0/s1 |
| InChIKey | XCCRAOPQCACRFC-OIFRRMEBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid (CHEBI:40833) has functional parent acetic acid (CHEBI:15366) |
| (3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid (CHEBI:40833) is a N-acylpiperidine (CHEBI:48591) |
| Synonyms | Source |
|---|---|
| (3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid | PDBeChem |
| {3-[3-(3,4-DIMETHOXY-PHENYL)-1-(1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)-BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)-PROPYL]-PHENOXY}-ACETIC ACID | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| AP1 | PDBeChem |