Phosphatidylcholine; Glycerol 2-(4,7,10,13,16,19-docosahexaenoate) 1-hexadecanoate 3-phosphocholine

AlkaPlorer ID: AK310271

Synonym: 2-O-(4,7,10,13,16,19-Docosahexaenoyl)-1-O-hexadecylglycero-3-phosphocholine 

IUPAC Name: 2-[[2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Structure

SMILES: CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)OC(COCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

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InChI: InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,27,29,33,35,45H,6-7,9,11-13,15,17-19,21,23,26,28,30-32,34,36-44H2,1-5H3/p+1/b10-8+,16-14+,22-20+,25-24+,29-27+,35-33+

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InChIKey: QQQQNYAHSSIZBU-MIMIONRCSA-O

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Reference

PubChem CID: 5773983

CAS: 97717-93-6

Source

Species Genus Family Order Class Phylum Kingdom Domain
Crassostrea gigas Crassostrea Ostreidae Ostreida Bivalvia Mollusca Metazoa Eukaryota

Properties Information

Molecule Weight: 793.1440000000001

TPSA: 91.29

MolLogP: 12.71379999999998

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information