LIPID MAPS

Structure Database (LMSD)

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Common Name

Actinospene

Systematic Name

Synonyms

LM ID

LMPK04000047

Formula

C₃₈H₅₅NO₁₅

Exact Mass

Calculate m/z

765.357174

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Actinokineospora spheciospongiae (#909613)

Actinomycetes (#1760)

The Discovery of Actinospene, a New Polyene Macrolide with Broad Activity against Plant Fungal Pathogens and Pathogenic Yeasts.,
Molecules, 2021

Pubmed ID: 34834113

String Representations

InChiKey (Click to copy)

SDFYGRPVFFYRKF-UAGQYMCFSA-N

InChi (Click to copy)

InChI=1S/C38H55NO15/c1-6-18(3)30-19(4)12-9-11-17(2)10-7-8-13-22(50-37-29(43)28(42)26(39)20(5)49-37)15-23-25(35(45)46)27(41)34(44)38(48,54-23)16-21(40)14-24-31(51-24)32-33(52-32)36(47)53-30/h6-13,19-34,37,40-44,48H,14-16,39H2,1-5H3,(H,45,46)/b10-7+,12-9+,13-8+,17-11+,18-6+/t19-,20-,21-,22+,23-,24+,25-,26-,27+,28+,29+,30+,31-,32+,33-,34-,37-,38?/m0/s1

SMILES (Click to copy)

C/C=C(\C)/[C@@H]1[C@@H](C)/C=C/C=C(\C)/C=C/C=C/[C@H](C[C@H]2[C@@H]([C@H]([C@@H](C(C[C@H](C[C@@H]3[C@@H]([C@@H]4[C@@H](C(=O)O1)O4)O3)O)(O)O2)O)O)C(=O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)N)O)O