Structure Database (LMSD)

Common Name
FOG7
Systematic Name
5-oxo-7-(S-glutathionyl)-8Z,11Z,14Z-eicosatrienoic acid
Synonyms
LM ID
LMFA03000028
Formula
C28H43N3O9S
Exact Mass
Calculate m/z
597.272004
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Other Eicosanoids [FA0300]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mus musculus (#10090)
Mammalia (#40674)
A novel glutathione containing eicosanoid (FOG7) chemotactic for human granulocytes.,
J Biol Chem, 2000
Pubmed ID: 10924496

String Representations

InChiKey (Click to copy)
YGLCGBVNLVWYKU-BPKIOZNWSA-N
InChi (Click to copy)
InChI=1S/C28H43N3O9S/c1-2-3-4-5-6-7-8-9-10-13-21(17-20(32)12-11-14-25(34)35)41-19-23(27(38)30-18-26(36)37)31-24(33)16-15-22(29)28(39)40/h4-5,7-8,10,13,21-23H,2-3,6,9,11-12,14-19,29H2,1H3,(H,30,38)(H,31,33)(H,34,35)(H,36,37)(H,39,40)/b5-4-,8-7-,13-10-/t21?,22-,23-/m0/s1
SMILES (Click to copy)
C(CCCC(=O)CC(SC[C@@H](C(=O)NCC(O)=O)NC(CC[C@@H](C(O)=O)N)=O)/C=C\C/C=C\C/C=C\CCC)(=O)O

Other Databases

PubChem CID
171120196

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 599.82
Topological Polar Surface Area 213.19
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 12
logP 3.86
Molar Refractivity 158.86

Admin

Created at
26th Jan 2021
Updated at
26th Jan 2021