LIPID MAPS

Structure Database (LMSD)

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Common Name

Calicogorgin C

Systematic Name

N-[(2S)-1-hydroxy-13-(4-methyl-5-pentylfuran-2-yl)-3-oxotridecan-2-yl]acetamide

Synonyms

LM ID

LMSP01080097

Formula

C₂₅H₄₃NO₄

Exact Mass

Calculate m/z

421.319209

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Calicogorgia (#58797)

Anthozoa (#6101)

Calicogorgins A, B, and C, three bioactive sphinganine derivatives from the gorgonian Calicogorgia sp.,
Tetrahedron Letts, 1992

DOI: 10.1016/S0040-4039(00)60816-X

String Representations

InChiKey (Click to copy)

XUCVFGSDHXEBNT-QHCPKHFHSA-N

InChi (Click to copy)

InChI=1S/C25H43NO4/c1-4-5-12-17-25-20(2)18-22(30-25)15-13-10-8-6-7-9-11-14-16-24(29)23(19-27)26-21(3)28/h18,23,27H,4-17,19H2,1-3H3,(H,26,28)/t23-/m0/s1

SMILES (Click to copy)

C(CCCC)C1=C(C)C=C(CCCCCCCCCCC(=O)[C@@H](NC(C)=O)CO)O1

Other Databases

PubChem CID

11742944

Calculated Physicochemical Properties

Heavy Atoms 30

Rings 1

Aromatic Rings 1

Rotatable Bonds 18

Van der Waals Molecular Volume 453.40

Topological Polar Surface Area 79.54

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 5

logP 6.01

Molar Refractivity 122.63

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Created at

13th Aug 2026

Updated at