Structure Database (LMSD)

Common Name
15-cis-4,4'-Diapophytoene
Systematic Name
(6E,10E,12Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,12,14,18,22-heptaene
Synonyms
  • 12-cis-dehydrosqualene
LM ID
LMPR0106010044
Formula
C30H48
Exact Mass
Calculate m/z
408.3756
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C30 isoprenoids (triterpenes) [PR0106]
Acyclic triterpenoids [PR010601]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Staphylococcus aureus (#1280)
Bacilli (#91061)
Pigments of Staphylococcus aureus, a series of triterpenoid carotenoids.,
J Bacteriol, 1981
Pubmed ID: 7275936

String Representations

InChiKey (Click to copy)
NXJJBCPAGHGVJC-LIKFLUFESA-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)=C/CC/C(/C)=C/CC/C(/C)=C/C=C\C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

KEGG ID
C16144
CHEBI ID
62738
PubChem CID
14019219
Carotenoid ID
CA00008

Calculated Physicochemical Properties

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

Admin

Created at
29th Oct 2021
Updated at
29th Oct 2021