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Entry
CA00219                                                            
Classification
Carotenoid Name
2'-Isopentylsaproxanthin
IUPAC name 2'-Isopentyl-3',4'-Didehydro-1',2'-dihydro-beta,psi-carotene-3,1'-diol
Formula
C45H66O2
Molecular Weight 
638.978 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
12
Number of
conjugated multiple bonds 
12
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
13.004
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
2
Complexity of molecule
0.054
Number of heavy atoms
47
TPSA
(Topological Polar Surface Area) 
40.460 Å2
Reaction
Pathway
  • Pathway: CB000153
    • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Jejuia pallidilutea strain 11shimoA1 (Ref.155) - Bacteroidetes (Bacteroidetes - Flavobacteriaceae)
    Gillisia limnaea strain DSM 15749 (Ref.160) - Bacteroidetes (Bacteroidetes - Flavobacteriaceae)
    References
  • Ref.155: N. Takatani, K. Nishida, T. Sawabe, T. Maoka, K. Miyashita, M. Hosokawa, Applied Microbiology and Biotechnology (2014), Volume 98, Issue 15, pp 6633-6640, "Identification of a novel carotenoid, 2'-isopentenylsaproxanthin, by Jejuia pallidilutea strain 11shimoA1 and its increased production under alkaline condition".
  • Ref.160: Naoki Takatania, Tomoo Sawabea, Takashi Maokab, Kazuo Miyashitaa, Masashi Hosokawa, Biocatalysis and Agricultural Biotechnology (2015), "Structure of a novel monocyclic carotenoid, 3″-hydroxy-2′-isopentenylsaproxanthin ((3R,2′S)-2′-(3-hydroxy-3-methylbutyl)-3′, 4′-didehydro-1′, 2′-dihydro-β, ψ-carotene-3, 1′-diol), from a flavobacterium Gillisia limnaea strain DSM 15749".
    • CAS
    -
    Links to other DB

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