Structure Database (LMSD)

Common Name
(4Z)-S-Dysidazirine
Systematic Name
methyl 3-(pentadec-1Z-enyl)-2H-azirine-2S-carboxylate
Synonyms
LM ID
LMSP01080090
Formula
C19H33NO2
Exact Mass
Calculate m/z
307.251129
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
Dysidea fragilis (#1336851)
Demospongiae (#6042)
New azacyclopropene derivatives from Dysidea fragilis collected in Pohnpei.,
J Nat Prod, 1995
Pubmed ID: 7494151

String Representations

InChiKey (Click to copy)
UOLCWKPNWDZCIP-WBYGGXTKSA-N
InChi (Click to copy)
InChI=1S/C19H33NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20-17)19(21)22-2/h15-16,18H,3-14H2,1-2H3/b16-15-/t18-/m1/s1
SMILES (Click to copy)
C(/C1[C@]([H])(C(OC)=O)N=1)=C/CCCCCCCCCCCCC

Other Databases

PubChem CID
25147319

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings
Rotatable Bonds 15
Van der Waals Molecular Volume 345.56
Topological Polar Surface Area 38.66
Hydrogen Bond Donors
Hydrogen Bond Acceptors 3
logP 5.53
Molar Refractivity 93.97

Admin

Created at
12th Dec 2023
Updated at
12th Dec 2023