Thalassospiramide E1
AlkaPlorer ID: AK052421
Synonym: None
IUPAC Name: (Z)-N-[(2S)-1-[[(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]-1,3-dihydroxy-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](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)C(C)C
InChI: InChI=1S/C55H88N8O15/c1-11-12-13-14-15-16-17-18-43(69)59-48(32(4)5)52(74)57-38(28-64)42(68)27-46(72)62-49(33(6)7)53(75)58-39(29-65)41(67)26-45(71)61-47(31(2)3)51(73)56-36-21-24-44(70)60-50(34(8)9)54(76)63(10)40(55(77)78-30-36)25-35-19-22-37(66)23-20-35/h16-17,19-24,31-34,36,38-42,47-50,64-68H,11-15,18,25-30H2,1-10H3,(H,56,73)(H,57,74)(H,58,75)(H,59,69)(H,60,70)(H,61,71)(H,62,72)/b17-16-,24-21?/t36-,38+,39+,40+,41+,42+,47+,48+,49+,50+/m1/s1
InChIKey: VJUFIBLXDHQEPE-UALNUVPTSA-N
Reference
Biosynthetic Multitasking Facilitates Thalassospiramide Structural Diversity in Marine Bacteria
PubChem CID: 139584050
LOTUS: LTS0233590
{NPAtlas: NPA003415
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalassospira sp. CNJ-328 | Thalassospira | Thalassospiraceae | Rhodospirillales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1101.3499999999997
TPSA？: 375.89
MolLogP？: 6.177700000000016
Number of H-Donors: 12
Number of H-Acceptors: 15
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|