Molecule

UNPD89862

AlkaPlorer ID: AK358858

Synonym: None

IUPAC Name: None

Structure

SMILES: C=C[C@H]1C[N@+]2([O-])CC[C@@]3(C(=O)NC4=CC=CC=C43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC

InChI: InChI=1S/C22H26N2O5/c1-4-14-12-24(27)10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-28-2)20(25)29-3/h4-8,13-15,19H,1,9-12H2,2-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22-,24+/m0/s1

InChIKey: CSSABHGIAKXVFA-LHQGTRSYSA-N

Reference

Revising the Representation of Fatty Acid, Glycerolipid, and Glycerophospholipid Metabolism in the Consensus Model of Yeast Metabolism

SuperNatural Ⅲ: SN0054540-02

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 398.4590000000002

TPSA？: 87.69000000000001

MolLogP？: 2.4888000000000003

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi