Structure Database (LMSD)

Common Name
Isorenieratene
Systematic Name
phi,phi-Carotene
Synonyms
  • Streptoxanthin
  • Leprotene
  • Leprotin
LM ID
LMPR01070124
Formula
C40H48
Exact Mass
Calculate m/z
528.3756
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Brevibacterium linens (#1703)
Actinomycetes (#1760)
A carotenogenic gene cluster from Brevibacterium linens with novel lycopene cyclase genes involved in the synthesis of aromatic carotenoids.,
Mol Gen Genet, 2000
Pubmed ID: 10821176
Streptomyces griseus (#1911)
Actinomycetes (#1760)
Functional analysis of genes from Streptomyces griseus involved in the synthesis of isorenieratene, a carotenoid with aromatic end groups, revealed a novel type of carotenoid desaturase.,
Biochim Biophys Acta, 1999
Pubmed ID: 10395965

String Representations

InChiKey (Click to copy)
ZCIHMQAPACOQHT-YSEOPJLNSA-N
InChi (Click to copy)
InChI=1S/C40H48/c1-29(17-13-19-31(3)21-27-39-35(7)25-23-33(5)37(39)9)15-11-12-16-30(2)18-14-20-32(4)22-28-40-36(8)26-24-34(6)38(40)10/h11-28H,1-10H3/b12-11+,17-13+,18-14+,27-21+,28-22+,29-15+,30-16+,31-19+,32-20+
SMILES (Click to copy)
C1(C)C(=C(C)C=CC=1C)/C=C/C(=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C=CC(C)=C1C)/C

Other Databases

KEGG ID
C15943
CHEBI ID
80196
LIPIDBANK ID
VCA1042
PubChem CID
9984420
Carotenoid ID
CA00770

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 2
Aromatic Rings 2
Rotatable Bonds 10
Van der Waals Molecular Volume 614.44
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.72
Molar Refractivity 181.82

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Created at
-
Updated at
18th Jan 2022