tumonoic acid C
AlkaPlorer ID: AK008870
Synonym: 'Tumonic acid C', '(2S)-2-(2R)-2-(2S)-1-(E,2R,3S)-3-hydroxy-2,4-dimethyldodec-4-enoylpyrrolidine-2-carbonyloxy-3-methylbutanoyloxypropanoic acid'
IUPAC Name: (2S)-2-[(2R)-2-[(2S)-1-[(E,2R,3S)-3-hydroxy-2,4-dimethyldodec-4-enoyl]pyrrolidine-2-carbonyl]oxy-3-methylbutanoyl]oxypropanoic acid
Structure
SMILES: CCCCCCC/C=C(\C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O[C@@H](C(=O)O[C@@H](C)C(=O)O)C(C)C
InChI: InChI=1S/C27H45NO8/c1-7-8-9-10-11-12-14-18(4)22(29)19(5)24(30)28-16-13-15-21(28)26(33)36-23(17(2)3)27(34)35-20(6)25(31)32/h14,17,19-23,29H,7-13,15-16H2,1-6H3,(H,31,32)/b18-14+/t19-,20+,21+,22-,23-/m1/s1
InChIKey: JMMSUMNUHPWPOM-ITIUQMENSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Oscillatoria margaritifera | Oscillatoria | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 511.6560000000004
TPSA？: 130.44
MolLogP？: 3.865300000000002
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|