WB-3559 C
AlkaPlorer ID: AK056856
Synonym: None
IUPAC Name: (2S)-3-hydroxy-2-[[2-[[(3R)-14-methyl-3-(13-methyltetradecanoyloxy)pentadecanoyl]amino]acetyl]amino]propanoic acid
Structure
SMILES: CC(C)CCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC(C)C)CC(O)=NCC(O)=N[C@@H](CO)C(=O)O
InChI: InChI=1S/C36H68N2O7/c1-29(2)22-18-14-10-6-5-7-13-17-21-25-35(42)45-31(24-20-16-12-9-8-11-15-19-23-30(3)4)26-33(40)37-27-34(41)38-32(28-39)36(43)44/h29-32,39H,5-28H2,1-4H3,(H,37,40)(H,38,41)(H,43,44)/t31-,32+/m1/s1
InChIKey: SGQHHKMEFFGXAS-ZWXJPIIXSA-N
Reference
PubChem CID: 125880
CAS: 96095-05-5
LOTUS: LTS0135241
SuperNatural Ⅲ: SN0344981-01
{NPAtlas: NPA003903
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Flavobacterium sp. | Flavobacterium | Flavobacteriaceae | Flavobacteriales | Flavobacteriia | Bacteroidota | None | Bacteria |
Properties Information
Molecule Weight: 640.9470000000006
TPSA？: 149.01
MolLogP？: 9.150900000000004
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|