Thalassospiramide B1
AlkaPlorer ID: AK077014
Synonym: None
IUPAC Name: (Z)-N-[(2S,3S)-5-[[(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]-3-hydroxy-1-(4-hydroxyphenyl)-5-oxopentan-2-yl]dec-3-enamide
Structure
SMILES: CCCCCC/C=C\CC(O)=N[C@@H](CC1=CC=C(O)C=C1)[C@@H](O)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/C56H83N7O14/c1-9-10-11-12-13-14-15-16-46(69)58-41(27-36-17-22-39(65)23-18-36)44(67)29-48(71)62-51(34(4)5)54(74)59-42(31-64)45(68)30-49(72)61-50(33(2)3)53(73)57-38-21-26-47(70)60-52(35(6)7)55(75)63(8)43(56(76)77-32-38)28-37-19-24-40(66)25-20-37/h14-15,17-26,33-35,38,41-45,50-52,64-68H,9-13,16,27-32H2,1-8H3,(H,57,73)(H,58,69)(H,59,74)(H,60,70)(H,61,72)(H,62,71)/b15-14-,26-21?/t38-,41+,42+,43+,44+,45+,50+,51+,52+/m1/s1
InChIKey: PUILMNOUWJCJQI-VXOBAHRMSA-N
Reference
Biosynthetic Multitasking Facilitates Thalassospiramide Structural Diversity in Marine Bacteria
PubChem CID: 139586617
LOTUS: LTS0143975
{NPAtlas: NPA012668
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalassospira sp. CNJ-328 | Thalassospira | Thalassospiraceae | Rhodospirillales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1078.3149999999994
TPSA？: 343.3
MolLogP？: 7.152600000000008
Number of H-Donors: 11
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|