Structure Database (LMSD)

Common Name
Sphingofungin H
Systematic Name
Synonyms
LM ID
LMSP01080085
Formula
C22H39NO6
Exact Mass
Calculate m/z
413.277739
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
Sphingoid base analogs [SP0108]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Aspergillus penicillioides (#41959)
Eurotiomycetes (#147545)
Sphingofungins G and H: new five-membered lactones from Aspergillus penicilliodes Speg.,
Nat Prod Res, 2019
Pubmed ID: 29745730

String Representations

InChiKey (Click to copy)
FCOAYFGFCGZHMQ-RTVCXEMNSA-N
InChi (Click to copy)
InChI=1S/C22H39NO6/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)21-20(27)19(22(28)29-21)23-16(2)24/h12,15,17-21,25-27H,3-11,13-14H2,1-2H3,(H,23,24)/b15-12+/t17?,18-,19+,20-,21-/m1/s1
SMILES (Click to copy)
[C@H]1([C@H](NC(C)=O)C(=O)O[C@@H]1[C@H](O)/C=C/CCCCCCC(O)CCCCCC)O

Other Databases

PubChem CID
171121136

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 1
Aromatic Rings
Rotatable Bonds 15
Van der Waals Molecular Volume 432.62
Topological Polar Surface Area 118.16
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 3.80
Molar Refractivity 113.67

Admin

Created at
16th Jun 2022
Updated at
16th Jun 2022