(2-{[(4E)-3-hydroxy-2-tetradecanamidooctadec-4-en-1-yl phosphonato]oxy}ethyl)trimethylazanium

AlkaPlorer ID: AK440027

Synonym: None

IUPAC Name: [(E,2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

Structure

SMILES: CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)N=C(O)CCCCCCCCCCCCC

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InChI: InChI=1S/C37H75N2O6P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-36(40)35(34-45-46(42,43)44-33-32-39(3,4)5)38-37(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h28,30,35-36,40H,6-27,29,31-34H2,1-5H3,(H-,38,41,42,43)/b30-28+/t35-,36+/m0/s1

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InChIKey: KYICBZWZQPCUMO-PSALXKTOSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Ailuropoda melanoleuca Ailuropoda Ursidae Carnivora Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 674.9889999999996

TPSA: 111.41

MolLogP: 9.8386

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information