tetrin a
AlkaPlorer ID: AK001532
Synonym: 'Tetrin A'
IUPAC Name: (7E,13E,15E,17E,19E)-21-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,25-tetrahydroxy-11,12-dimethyl-9-oxo-10,27-dioxabicyclo[21.3.1]heptacosa-7,13,15,17,19-pentaene-24-carboxylic acid
Structure
SMILES: CC1/C=C/C=C/C=C/C=C/C(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC2OC(O)(CC(O)CC(O)C/C=C/C(=O)OC1C)CC(O)C2C(=O)O
InChI: InChI=1S/C34H51NO13/c1-19-11-8-6-4-5-7-9-13-24(47-33-31(41)29(35)30(40)21(3)46-33)16-26-28(32(42)43)25(38)18-34(44,48-26)17-23(37)15-22(36)12-10-14-27(39)45-20(19)2/h4-11,13-14,19-26,28-31,33,36-38,40-41,44H,12,15-18,35H2,1-3H3,(H,42,43)/b6-4+,7-5+,11-8+,13-9+,14-10+/t19?,20?,21-,22?,23?,24?,25?,26?,28?,29+,30-,31+,33+,34?/m1/s1
InChIKey: VHMCOPURFQAZFP-BCRUFRJLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces hygroscopicus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 681.7760000000004
TPSA？: 238.69
MolLogP？: 0.3493000000000033
Number of H-Donors: 8
Number of H-Acceptors: 13
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|