Thalassospiramide F
AlkaPlorer ID: AK077019
Synonym: None
IUPAC Name: (3S,4S)-4-[[(Z)-dec-3-enyl]amino]-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]-3-hydroxy-5-phenylpentanamide
Structure
SMILES: CCCCCC/C=C\CCN[C@@H](CC1=CC=CC=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](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/C66H103N9O16/c1-11-12-13-14-15-16-17-21-30-67-47(31-43-22-19-18-20-23-43)51(79)33-55(83)73-59(40(4)5)63(87)69-49(37-77)53(81)35-57(85)74-60(41(6)7)64(88)70-48(36-76)52(80)34-56(84)72-58(39(2)3)62(86)68-45-26-29-54(82)71-61(42(8)9)65(89)75(10)50(66(90)91-38-45)32-44-24-27-46(78)28-25-44/h16-20,22-29,39-42,45,47-53,58-61,67,76-81H,11-15,21,30-38H2,1-10H3,(H,68,86)(H,69,87)(H,70,88)(H,71,82)(H,72,84)(H,73,83)(H,74,85)/b17-16-,29-26?/t45-,47+,48+,49+,50+,51+,52+,53+,58+,59+,60+,61+/m1/s1
InChIKey: RELOKUJTONFBEZ-FGVOTKTESA-N
Reference
Biosynthetic Multitasking Facilitates Thalassospiramide Structural Diversity in Marine Bacteria
PubChem CID: 139587767
LOTUS: LTS0054019
{NPAtlas: NPA016767
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalassospira sp. CNJ-328 | Thalassospira | Thalassospiraceae | Rhodospirillales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1278.5969999999993
TPSA？: 408.1500000000001
MolLogP？: 7.129600000000019
Number of H-Donors: 14
Number of H-Acceptors: 17
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|