Structure Database (LMSD)

Common Name
4'-Apo-3,4-didehydrolycopene
Systematic Name
3,4-Didehydro-4'-apo-psi,psi-carotene
Synonyms
  • 4-Apo-3',4'-didehydrolycopene
LM ID
LMPR01070189
Formula
C35H46
Exact Mass
Calculate m/z
466.35995
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
RMTXRSKFJQIXGO-JIYPWYQOSA-N
InChi (Click to copy)
InChI=1S/C35H46/c1-29(2)17-12-21-33(7)25-14-23-31(5)19-10-11-20-32(6)24-15-27-35(9)28-16-26-34(8)22-13-18-30(3)4/h10-28H,1-9H3/b11-10+,21-12+,22-13+,23-14+,24-15+,28-16+,31-19+,32-20+,33-25+,34-26+,35-27+
SMILES (Click to copy)
C/C(/C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Evolution of the C30 carotenoid synthase CrtM for function in a C40 pathway.,
J Bacteriol, 2002
Pubmed ID: 12426357

Other Databases

LIPIDBANK ID
VCA1107
PubChem CID
16061295
Carotenoid ID
CA00188

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 579.74
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.99
Molar Refractivity 162.49

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Created at
-
Updated at
27th Oct 2023