LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Melonoside A

Systematic Name

N-((28-O-β-D-glucuronopyranosyl)-11,18-dioxo-2S-methoxy-5Z,21Z-octacosadienoyl)-tyramine

Synonyms

LM ID

LMFA08020394

Formula

C₄₃H₆₇NO₁₂

Exact Mass

Calculate m/z

789.466329

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

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

String Representations

InChiKey (Click to copy)

TXGCZMCVMPFOAS-JKBBUWHFSA-N

InChi (Click to copy)

InChI=1S/C43H67NO12/c1-54-36(41(51)44-30-29-32-25-27-35(47)28-26-32)24-18-10-6-5-9-15-21-34(46)23-17-12-11-16-22-33(45)20-14-8-4-2-3-7-13-19-31-55-43-39(50)37(48)38(49)40(56-43)42(52)53/h4,6,8,10,25-28,36-40,43,47-50H,2-3,5,7,9,11-24,29-31H2,1H3,(H,44,51)(H,52,53)/b8-4-,10-6-/t36-,37-,38-,39+,40-,43+/m0/s1

SMILES (Click to copy)

C([C@@H](OC)CC/C=C\CCCCC(=O)CCCCCCC(CC/C=C\CCCCCCO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O1)=O)(=O)NCCC1=CC=C(O)C=C1