UNPD99872
AlkaPlorer ID: AK270902
Synonym: None
IUPAC Name: [(2S)-1-acetamido-3-[[(3Z,19Z)-22-[[(2R)-3-acetamido-2-acetyloxypropyl]-acetylamino]docosa-3,19-dienyl]-acetylamino]propan-2-yl] acetate
Structure
SMILES: CC(=O)O[C@H](CN=C(C)O)CN(CC/C=C\CCCCCCCCCCCCCC/C=C\CCN(C[C@H](CN=C(C)O)OC(C)=O)C(C)=O)C(C)=O
InChI: InChI=1S/C40H70N4O8/c1-33(45)41-29-39(51-37(5)49)31-43(35(3)47)27-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28-44(36(4)48)32-40(52-38(6)50)30-42-34(2)46/h21-24,39-40H,7-20,25-32H2,1-6H3,(H,41,45)(H,42,46)/b23-21-,24-22-/t39-,40+
InChIKey: VNIFANBKXSABCQ-DTGOVPBRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clathrina coriacea | Clathrina | Clathrinidae | Clathrinida | Calcarea | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 735.0200000000004
TPSA？: 158.4
MolLogP？: 7.85360000000001
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|