Massiliachelin
AlkaPlorer ID: AK006110
Synonym: None
IUPAC Name: (3S)-3-hydroxy-3-[(2R,4R)-2-[(4R)-2-(2-hydroxy-6-pentylphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]-2,2-dimethylpropanoic acid
Structure
SMILES: CCCCCC1=CC=CC(O)=C1C1=N[C@@H]([C@H]2SC[C@@H]([C@@H](O)C(C)(C)C(=O)O)N2C)CS1
InChI: InChI=1S/C23H34N2O4S2/c1-5-6-7-9-14-10-8-11-17(26)18(14)20-24-15(12-30-20)21-25(4)16(13-31-21)19(27)23(2,3)22(28)29/h8,10-11,15-16,19,21,26-27H,5-7,9,12-13H2,1-4H3,(H,28,29)/t15-,16+,19-,21-/m1/s1
InChIKey: QZBCDLLHQSDFIG-NNNWTRQLSA-N
Reference
Genomics-inspired discovery of massiliachelin, an agrochelin epimer from <i>Massilia</i> sp. NR 4-1
PubChem CID: 146683533
LOTUS: LTS0123171
{NPAtlas: NPA027133
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Massilia sp. NR 4-1 | Massilia | Oxalobacteraceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 466.66900000000027
TPSA？: 93.36
MolLogP？: 3.831900000000002
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|