Structure Database (LMSD)

Common Name
(S)-(+)-Abscisic acid
Systematic Name
Synonyms
LM ID
LMPR0103050001
Formula
C15H20O4
Exact Mass
Calculate m/z
264.13616
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Cyclofarnesane sesquiterpenoids [PR010305]

String Representations

InChiKey (Click to copy)
JLIDBLDQVAYHNE-IBPUIESWSA-N
InChi (Click to copy)
InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+/t15-/m1/s1
SMILES (Click to copy)
C1(=O)C=C(C)[C@](O)(/C=C/C(/C)=C/C(=O)O)C(C)(C)C1

Other Databases

Wikipedia
Abscisic_acid
HMDB ID
HMDB0035140
CHEBI ID
18743
PubChem CID
5702609

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 277.66
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 2.54
Molar Refractivity 73.16

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Updated at
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