Structure Database (LMSD)

Common Name
4,4'-Diapophytofluene
Systematic Name
7,8,11,12,7',8'-Hexahydro-4,4'-diapo-psi,psi-carotene
Synonyms
LM ID
LMPR01070141
Formula
C30H46
Exact Mass
Calculate m/z
406.359951
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

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

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)
XJMTWNXFNQAKGS-AXODYVGMSA-N
InChi (Click to copy)
InChI=1S/C30H46/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/h9-10,13,15-18,21,23-24H,11-12,14,19-20,22H2,1-8H3/b10-9+,21-13+,27-17+,28-18+,29-23+,30-24+
SMILES (Click to copy)
C/C(/C)=C/CC/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

CHEBI ID
62740
LIPIDBANK ID
VCA1059
PubChem CID
16061258
Carotenoid ID
CA00007

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 506.44
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.16
Molar Refractivity 139.87

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Created at
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Updated at
11th Jun 2025