LIPID MAPS

Structure Database (LMSD)

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Common Name

Mycestericin C

Systematic Name

2S-Amino-3R,4R-dihydroxy-2-hydroxymethyl-14-oxoeicosanoic acid

Synonyms

LM ID

LMSP01080103

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)

YCSMVIFHUJOGKU-DYXWJJEUSA-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/h18-19,23,25-26H,2-16,22H2,1H3,(H,27,28)/t18-,19+,21+/m1/s1

SMILES (Click to copy)

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

Other Databases

PubChem CID

162274

Calculated Physicochemical Properties

Heavy Atoms 28

Rings

Aromatic Rings

Rotatable Bonds 19

Van der Waals Molecular Volume 430.32

Topological Polar Surface Area 141.08

Hydrogen Bond Donors 5

Hydrogen Bond Acceptors 7

logP 3.68

Molar Refractivity 111.00

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Created at

26th Oct 2026

Updated at