LIPID MAPS

Structure Database (LMSD)

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Common Name

Melonosin A

Systematic Name

N-(11,18-dioxo-28-hydroxy-2S-methoxy-5Z,21Z-octacosadienoyl)-tyramine

Synonyms

(2S,5Z,21Z)-28-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methoxy-11,18-dioxooctacosa-5,21-dienamide

LM ID

LMFA08020395

Formula

C₃₇H₅₉NO₆

Exact Mass

Calculate m/z

613.434239

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

CQUVIJBVSNICJF-XWOFKJQKSA-N

InChi (Click to copy)

InChI=1S/C37H59NO6/c1-44-36(37(43)38-30-29-32-25-27-35(42)28-26-32)24-18-10-6-5-9-15-21-34(41)23-17-12-11-16-22-33(40)20-14-8-4-2-3-7-13-19-31-39/h4,6,8,10,25-28,36,39,42H,2-3,5,7,9,11-24,29-31H2,1H3,(H,38,43)/b8-4-,10-6-/t36-/m0/s1

SMILES (Click to copy)

C([C@@H](OC)CC/C=C\CCCCC(=O)CCCCCCC(CC/C=C\CCCCCCO)=O)(=O)NCCC1=CC=C(O)C=C1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Myxilla (#118320)

Demospongiae (#6042)

Toporosides A and B, Cyclopentenyl-Containing ω-Glycosylated Fatty Acid Amides, and Toporosides C and D from the Northwestern Pacific Marine Sponge Stelodoryx toporoki.,
J Nat Prod, 2022

Pubmed ID: 35377646