LIPID MAPS

Structure Database (LMSD)

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Common Name

Melonosin B

Systematic Name

N-(26-hydroxy-11,16-dioxo-2S-methoxy-5Z-hexacosenoyl)-tyramine

Synonyms

(Z,2S)-26-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methoxy-11,16-dioxohexacos-5-enamide

LM ID

LMFA08020397

Formula

C₃₅H₅₇NO₆

Exact Mass

Calculate m/z

587.418589

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

JSMJTPOZTBENPS-ISJOXRKBSA-N

InChi (Click to copy)

InChI=1S/C35H57NO6/c1-42-34(35(41)36-28-27-30-23-25-33(40)26-24-30)22-14-10-6-5-9-13-19-32(39)21-16-15-20-31(38)18-12-8-4-2-3-7-11-17-29-37/h6,10,23-26,34,37,40H,2-5,7-9,11-22,27-29H2,1H3,(H,36,41)/b10-6-/t34-/m0/s1

SMILES (Click to copy)

N(C(=O)[C@H](CC/C=C\CCCCC(CCCCC(CCCCCCCCCCO)=O)=O)OC)CCC1=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