Structure Database (LMSD)

Common Name
Nerolidol
Systematic Name
Synonyms
LM ID
LMPR0103010005
Formula
C15H26O
Exact Mass
Calculate m/z
222.198365
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Acyclic farnesane sesquiterpenoids [PR010301]

String Representations

InChiKey (Click to copy)
FQTLCLSUCSAZDY-ATGUSINASA-N
InChi (Click to copy)
InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m1/s1
SMILES (Click to copy)
[C@](O)(C)(C=C)CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

Wikipedia
Nerolidol
KEGG ID
C09704
CHEBI ID
59958
PubChem CID
5281525

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 268.93
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.68
Molar Refractivity 72.99

Admin

Created at
-
Updated at
-