2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenamido]pentanedioic acid
AlkaPlorer ID: AK321577
Synonym: None
IUPAC Name: 2-(docosa-4,7,10,13,16,19-hexaenoylamino)pentanedioic acid
Structure
SMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NC(CCC(=O)O)C(=O)O
InChI: InChI=1S/C27H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)28-24(27(32)33)22-23-26(30)31/h3-4,6-7,9-10,12-13,15-16,18-19,24H,2,5,8,11,14,17,20-23H2,1H3,(H,28,29)(H,30,31)(H,32,33)
InChIKey: NMAOXADCTJAFFT-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Calanus helgolandicus | Calanus | Calanidae | Calanoida | Hexanauplia | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 457.6110000000003
TPSA？: 103.7
MolLogP？: 5.898500000000005
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|