Structure Database (LMSD)

Common Name
4,4'-Diapophytoene
Systematic Name
(6E,10E,12E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,12,14,18,22-heptaene
Synonyms
  • Dehydrosqualene
LM ID
LMPR01070131
Formula
C30H48
Exact Mass
Calculate m/z
408.3756
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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Heliobacterium mobile (#28064)
Clostridia (#186801)
Tracking molecular evolution of photosynthesis by characterization of a major photosynthesis gene cluster from Heliobacillus mobilis.,
Proc Natl Acad Sci U S A, 1998
Pubmed ID: 9843979
Staphylococcus aureus (#1280)
Bacilli (#91061)
Genetic and biochemical analyses of the biosynthesis of the yellow carotenoid 4,4'-diaponeurosporene of Staphylococcus aureus.,
J Bacteriol, 1994
Pubmed ID: 8002598

String Representations

InChiKey (Click to copy)
NXJJBCPAGHGVJC-MAYJZIKRSA-N
InChi (Click to copy)
InChI=1S/C30H48/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-18,23-24H,11-14,19-22H2,1-8H3/b10-9+,27-17+,28-18+,29-23+,30-24+
SMILES (Click to copy)
C/C(=C/CC/C(=C/CC/C(=C/C=C/C=C(\C)/CC/C=C(/CC/C=C(/C)\C)\C)/C)/C)/C

Other Databases

CHEBI ID
62737
LIPIDBANK ID
VCA1049
PubChem CID
5377880

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 509.08
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.38
Molar Refractivity 139.97

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Created at
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Updated at
29th Oct 2021