Structure Database (LMSD)

Common Name
14'-apo-beta-carotenal
Systematic Name
14'-apo-β-caroten-14'-al
Synonyms
  • 14'-apo-beta,psi-carotenal
  • 14'-apo-beta-Carotenal
  • 14'-apo-beta-carotenal
  • beta-apo-14'-carotenal
LM ID
LMPR01070297
Formula
C22H30O
Exact Mass
Calculate m/z
310.229665
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

String Representations

InChiKey (Click to copy)
NGISIFNAHMKVQR-SSRYJDFZSA-N
InChi (Click to copy)
InChI=1S/C22H30O/c1-18(10-6-7-17-23)11-8-12-19(2)14-15-21-20(3)13-9-16-22(21,4)5/h6-8,10-12,14-15,17H,9,13,16H2,1-5H3/b7-6+,11-8+,15-14+,18-10+,19-12+
SMILES (Click to copy)
C1CCC(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=O)=C1C

Other Databases

KEGG ID
C06734
CHEBI ID
17457
PubChem CID
5280992
Carotenoid ID
CA00808

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 367.11
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.27
Molar Refractivity 101.33

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Created at
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Updated at
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