Thalassospiramide C
AlkaPlorer ID: AK077028
Synonym: None
IUPAC Name: (Z)-N-[(2S)-3-(4-hydroxyphenyl)-1-[[(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]-1-oxopropan-2-yl]dec-3-enamide
Structure
SMILES: CCCCCC/C=C\CC(O)=N[C@@H](CC1=CC=C(O)C=C1)C(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
InChI: InChI=1S/C44H61N5O9/c1-7-8-9-10-11-12-13-14-37(52)46-35(25-30-15-20-33(50)21-16-30)41(54)48-39(28(2)3)42(55)45-32-19-24-38(53)47-40(29(4)5)43(56)49(6)36(44(57)58-27-32)26-31-17-22-34(51)23-18-31/h12-13,15-24,28-29,32,35-36,39-40,50-51H,7-11,14,25-27H2,1-6H3,(H,45,55)(H,46,52)(H,47,53)(H,48,54)/b13-12-,24-19?/t32-,35+,36+,39+,40+/m1/s1
InChIKey: JAHUYDGVSJVDKF-OHHXILGESA-N
Reference
Biosynthetic Multitasking Facilitates Thalassospiramide Structural Diversity in Marine Bacteria
PubChem CID: 139587933
LOTUS: LTS0063982
{NPAtlas: NPA017414
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalassospira sp. CNJ-328 | Thalassospira | Thalassospiraceae | Rhodospirillales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 803.9979999999999
TPSA？: 217.43
MolLogP？: 7.352100000000008
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|