LIPID MAPS

Structure Database (LMSD)

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Common Name

Phakellioside D

Systematic Name

N-(22S-methoxy-11,17-diketo-28-glucuronyl-5Z,22Z-octadocosa-dienoyl) dopamine

Synonyms

LM ID

LMFA08020466

Formula

C₄₃H₆₇NO₁₃

Exact Mass

Calculate m/z

805.461245

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

unclassified Phakellia (#2635463)

Demospongiae (#6042)

Isolation and Characterization of Glycosylated Fatty Acid Amides from the Norwegian Deep-Sea Sponge <i>Phakellia</i> sp.,
Mar Drugs, 2026

Pubmed ID: 42646464

DOI: 10.3390/md24080264

String Representations

InChiKey (Click to copy)

RJMHIRYZYNUEKA-ILLLCGHCSA-N

InChi (Click to copy)

InChI=1S/C43H67NO13/c1-55-36(41(52)44-28-27-31-25-26-34(47)35(48)30-31)24-18-11-7-6-10-15-21-33(46)23-17-13-16-22-32(45)20-14-9-5-3-2-4-8-12-19-29-56-43-39(51)37(49)38(50)40(57-43)42(53)54/h2-3,7,11,25-26,30,36-40,43,47-51H,4-6,8-10,12-24,27-29H2,1H3,(H,44,52)(H,53,54)/b3-2-,11-7-/t36-,37-,38-,39+,40-,43+/m0/s1

SMILES (Click to copy)

C([C@@H](OC)CC/C=C\CCCCC(=O)CCCCCC(=O)CCCC/C=C\CCCCCO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O1)(=O)NCCC1C=CC(O)=C(O)C=1

Calculated Physicochemical Properties

Heavy Atoms 57

Rings 2

Aromatic Rings 1

Rotatable Bonds 32

Van der Waals Molecular Volume 818.35

Topological Polar Surface Area 231.45

Hydrogen Bond Donors 7

Hydrogen Bond Acceptors 14

logP 7.63

Molar Refractivity 217.62

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Created at

11th Sep 2026

Updated at