LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG SVG

Common Name

Mycestericin B

Systematic Name

2S-amino-3R,4R,14R-trihydroxy-2-(hydroxymethyl)icosa-6E-enoic acid

Synonyms

(2S,3R,4R,6E,12E,14R)-2-amino-3,4,14-trihydroxy-2-(hydroxymethyl)icosa-6-enoic acid

LM ID

LMSP01080102

Formula

C₂₁H₄₁NO₆

Exact Mass

Calculate m/z

403.293389

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

unclassified Fungi (#89443)

Fungal metabolites. Part 14. Novel potent immunosuppressants, mycestericins, produced by Mycelia sterilia.,
J Antibiot (Tokyo), 1994

Pubmed ID: 8195042

DOI: 10.7164/antibiotics.47.420

String Representations

InChiKey (Click to copy)

VYUHMYFZWTWSOT-XEBQVVNSSA-N

InChi (Click to copy)

InChI=1S/C21H41NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,17-19,23-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t17-,18-,19+,21+/m1/s1

SMILES (Click to copy)

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

Other Databases

PubChem CID

162987228

Calculated Physicochemical Properties

Heavy Atoms 28

Rings

Aromatic Rings

Rotatable Bonds 18

Van der Waals Molecular Volume 430.32

Topological Polar Surface Area 144.24

Hydrogen Bond Donors 6

Hydrogen Bond Acceptors 7

logP 3.53

Molar Refractivity 112.42

Admin

Created at

26th Oct 2026

Updated at