Structure Database (LMSD)

Common Name
Sphingofungin F
Systematic Name
2S-amino-3R,4R,5S-trihydroxy-2-methyl-14-oxo-eicos-6E-enoic acid
Synonyms
LM ID
LMSP01080066
Status
Active
Exact Mass
Calculate m/z
401.277739
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
KEACSJIKRANUJC-NZBAJYJFSA-N
InChi (Click to copy)
InChI=1S/C21H39NO6/c1-3-4-5-10-13-16(23)14-11-8-6-7-9-12-15-17(24)18(25)19(26)21(2,22)20(27)28/h12,15,17-19,24-26H,3-11,13-14,22H2,1-2H3,(H,27,28)/b15-12+/t17-,18+,19-,21-/m0/s1
SMILES (Click to copy)
C(=O)([C@@](C)(N)[C@@H](O)[C@H](O)[C@@H](O)/C=C/CCCCCCC(=O)CCCCCC)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Paecilomyces variotii (#264951)
Eurotiomycetes (#147545)
No citation found

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 427.68
Topological Polar Surface Area 141.08
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 3.45
Molar Refractivity 110.90

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Created at
-
Updated at
16th Jun 2022