Thalassospiramide A4
AlkaPlorer ID: AK061386
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]-4-methyl-1-oxopentan-2-yl]dec-3-enamide
Structure
SMILES: CCCCCC/C=C\CC(O)=N[C@@H](CC(C)C)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/C51H81N7O12/c1-11-12-13-14-15-16-17-18-41(62)53-37(25-30(2)3)47(65)57-45(32(6)7)49(67)54-38(28-59)40(61)27-43(64)56-44(31(4)5)48(66)52-35-21-24-42(63)55-46(33(8)9)50(68)58(10)39(51(69)70-29-35)26-34-19-22-36(60)23-20-34/h16-17,19-24,30-33,35,37-40,44-46,59-61H,11-15,18,25-29H2,1-10H3,(H,52,66)(H,53,62)(H,54,67)(H,55,63)(H,56,64)(H,57,65)/b17-16-,24-21?/t35-,37+,38+,39+,40+,44+,45+,46+/m1/s1
InChIKey: LCUIMXBTIQXBRX-ZLKAPOBXSA-N
Reference
Biosynthetic Multitasking Facilitates Thalassospiramide Structural Diversity in Marine Bacteria
PubChem CID: 139584323
LOTUS: LTS0275141
{NPAtlas: NPA004445
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalassospira sp. CNJ-328 | Thalassospira | Thalassospiraceae | Rhodospirillales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 984.2459999999998
TPSA？: 302.84
MolLogP？: 7.49940000000001
Number of H-Donors: 9
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|