N-[(1S,3R,4S,5R,7S,9S,10R,11R,13S,15S,16S,17R,19R,24R,25S,27S,28S,29R,30R,31R)-10,27-diacetamido-4,16,28,29,30-pentahydroxy-5,17-bis(hydroxymethyl)-11,25-dimethyl-21-oxo-2,6,8,12,14,18,20,22,23,26-decaoxa-21λ⁵-phosphapentacyclo[22.2.2.1³,⁷.1⁹,¹³.1¹⁵,¹⁹]he
AlkaPlorer ID: AK515511
Synonym: None
IUPAC Name: N-[27,31-diacetamido-4,16,28,29,30-pentahydroxy-5,17-bis(hydroxymethyl)-11,25-dimethyl-21-oxo-2,6,8,12,14,18,20,22,23,26-decaoxa-21-phosphoniapentacyclo[22.2.2.13,7.19,13.115,19]hentriacontan-10-yl]acetamide
Structure
SMILES: CC(O)=NC1C2OC(C)C(OO[PH](=O)OC3OC(CO)C(O)C(OC4OC(C)C(N=C(C)O)C(OC5OC(CO)C(O)C(O2)C5N=C(C)O)C4O)C3O)C1O
InChI: InChI=1S/C30H50N3O21P/c1-8-15(31-10(3)36)24-21(42)29(45-8)51-26-19(40)14(7-35)48-30(22(26)43)53-55(44)54-52-23-9(2)46-27(16(20(23)41)32-11(4)37)50-25-17(33-12(5)38)28(49-24)47-13(6-34)18(25)39/h8-9,13-30,34-35,39-43,55H,6-7H2,1-5H3,(H,31,36)(H,32,37)(H,33,38)
InChIKey: RRWAALRGCKOCRG-UHFFFAOYSA-N
Reference
Structure of a phosphorylated polysaccharide from Shewanella putrefaciens strain S29
LOTUS: LTS0137039
COCONUT: CNP0103981.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Shewanella putrefaciens | Shewanella | Shewanellaceae | Alteromonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 819.7040000000004
TPSA？: 348.75000000000006
MolLogP？: -3.357799999999989
Number of H-Donors: 10
Number of H-Acceptors: 21
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|