Thalassospiramide E
AlkaPlorer ID: AK076937
Synonym: None
IUPAC Name: (Z)-N-[(2S)-1-[[(2S,3S)-1,3-dihydroxy-5-[[(2S)-1-[[(3S,6S,11R)-3-[(4-hydroxyphenyl)methyl]-4-methyl-2,5,8-trioxo-6-propan-2-yl-1-oxa-4,7-diazacyclododec-9-en-11-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]dec-3-enamide
Structure
SMILES: CCCCCC/C=C\CC(O)=N[C@H](C(O)=N[C@@H](CO)[C@@H](O)CC(O)=N[C@H](C(O)=N[C@@H]1C=CC(O)=N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC2=CC=C(O)C=C2)C(=O)OC1)C(C)C)C(C)C
InChI: InChI=1S/C45H70N6O11/c1-9-10-11-12-13-14-15-16-36(55)48-40(28(4)5)43(59)47-33(25-52)35(54)24-38(57)50-39(27(2)3)42(58)46-31-19-22-37(56)49-41(29(6)7)44(60)51(8)34(45(61)62-26-31)23-30-17-20-32(53)21-18-30/h14-15,17-22,27-29,31,33-35,39-41,52-54H,9-13,16,23-26H2,1-8H3,(H,46,58)(H,47,59)(H,48,55)(H,49,56)(H,50,57)/b15-14-,22-19?/t31-,33+,34+,35+,39+,40+,41+/m1/s1
InChIKey: SVBUEONWPGTYBI-ZPQPQIPQSA-N
Reference
Biosynthetic Multitasking Facilitates Thalassospiramide Structural Diversity in Marine Bacteria
PubChem CID: 139585009
LOTUS: LTS0126331
{NPAtlas: NPA006745
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalassospira sp. CNJ-328 | Thalassospira | Thalassospiraceae | Rhodospirillales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 871.0859999999998
TPSA？: 270.25
MolLogP？: 6.128200000000007
Number of H-Donors: 8
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|