Thalassospiramide A5
AlkaPlorer ID: AK077007
Synonym: None
IUPAC Name: (Z)-N-[(2S)-1-[[(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]amino]-1-oxo-3-phenylpropan-2-yl]dec-3-enamide
Structure
SMILES: CCCCCC/C=C\CC(O)=N[C@@H](CC1=CC=CC=C1)C(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/C54H79N7O12/c1-9-10-11-12-13-14-18-21-44(65)56-40(28-36-19-16-15-17-20-36)50(68)60-48(34(4)5)52(70)57-41(31-62)43(64)30-46(67)59-47(33(2)3)51(69)55-38-24-27-45(66)58-49(35(6)7)53(71)61(8)42(54(72)73-32-38)29-37-22-25-39(63)26-23-37/h14-20,22-27,33-35,38,40-43,47-49,62-64H,9-13,21,28-32H2,1-8H3,(H,55,69)(H,56,65)(H,57,70)(H,58,66)(H,59,67)(H,60,68)/b18-14-,27-24?/t38-,40+,41+,42+,43+,47+,48+,49+/m1/s1
InChIKey: IVBBMPWCSBTTHK-PIOZPJAHSA-N
Reference
Biosynthetic Multitasking Facilitates Thalassospiramide Structural Diversity in Marine Bacteria
PubChem CID: 139586525
LOTUS: LTS0254880
{NPAtlas: NPA012319
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalassospira sp. CNJ-328 | Thalassospira | Thalassospiraceae | Rhodospirillales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1018.2629999999998
TPSA？: 302.84
MolLogP？: 7.696000000000008
Number of H-Donors: 9
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|