LIPID MAPS

Structure Database (LMSD)

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Common Name

Mycestericin E

Systematic Name

2S-Amino-3R-hydroxy-2-hydroxymethyl-14-oxo-6E-eicosenoic acid

Synonyms

LM ID

LMSP01080106

Formula

C₂₁H₃₉NO₅

Exact Mass

Calculate m/z

385.282824

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

unclassified Fungi (#89443)

Determination of absolute configuration and biological activity of new immunosuppressants, mycestericins D, E, F and G.,
J Antibiot (Tokyo), 1996

Pubmed ID: 8931716

DOI: 10.7164/antibiotics.49.846

String Representations

InChiKey (Click to copy)

CYGFHEVFZXDUGH-ANXGTHGUSA-N

InChi (Click to copy)

InChI=1S/C21H39NO5/c1-2-3-4-11-14-18(24)15-12-9-7-5-6-8-10-13-16-19(25)21(22,17-23)20(26)27/h8,10,19,23,25H,2-7,9,11-17,22H2,1H3,(H,26,27)/b10-8+/t19-,21+/m1/s1

SMILES (Click to copy)

[C@@H](O)(CC/C=C/CCCCCCC(CCCCCC)=O)[C@](CO)(N)C(=O)O

Other Databases

CHEBI ID

213142

PubChem CID

10715135

Calculated Physicochemical Properties

Heavy Atoms 27

Rings

Aromatic Rings

Rotatable Bonds 18

Van der Waals Molecular Volume 418.89

Topological Polar Surface Area 120.85

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 6

logP 4.20

Molar Refractivity 109.00

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Created at

27th Oct 2026

Updated at