LIPID MAPS

Structure Database (LMSD)

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Common Name

Sphingofungin H

Systematic Name

Synonyms

LM ID

LMSP01080085

Formula

C₂₂H₃₉NO₆

Exact Mass

Calculate m/z

413.277739

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

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