Molecule

178115-91-8

AlkaPlorer ID: AK044931

Synonym: None

IUPAC Name: (E)-4-[(4R,5S,7R)-4-[(2S,3E,5R,6Z)-7-chloro-5,9-dihydroxynona-3,6-dien-2-yl]-6-azaspiro[4.5]decan-7-yl]-2-methylbut-2-enoic acid

Structure

SMILES: C/C(=C\C[C@H]1CCC[C@]2(CCC[C@@H]2[C@@H](C)/C=C/[C@@H](O)/C=C(\Cl)CCO)N1)C(=O)O

InChI: InChI=1S/C23H36ClNO4/c1-16(8-10-20(27)15-18(24)11-14-26)21-6-4-13-23(21)12-3-5-19(25-23)9-7-17(2)22(28)29/h7-8,10,15-16,19-21,25-27H,3-6,9,11-14H2,1-2H3,(H,28,29)/b10-8+,17-7+,18-15-/t16-,19+,20+,21+,23+/m0/s1

InChIKey: AASNHMKFRLWUOJ-IBSBDYNISA-N

Reference

Pinnaic acid and tauropinnaic acid: Two novel fatty acids composing a 6-azaspiro[4.5]decane unit from the Okinawan bivalve Pinna muricata

PubChem CID: 9979869

LOTUS: LTS0099963

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pinna muricata	Pinna	Pinnidae	Pterioida	Bivalvia	Mollusca	Metazoa	Eukaryota

Properties Information

Molecule Weight: 425.9970000000001

TPSA？: 89.79

MolLogP？: 4.146700000000002

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi