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Structure Database (LMSD)

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Common Name

epsilon,epsilon-Carotene-3,3'-dione

Systematic Name

(6R,6'R)-ε,ε-Carotene-3,3'-dione

Synonyms

(6R,6'R)-3,3'-Diketo-epsilon-carotene
(6R,6'R)-3,3'-Diketo-epsion-carotene

LM ID

LMPR01070197

Formula

C₄₀H₅₂O₂

Exact Mass

Calculate m/z

564.39673

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

IMFOMPZKWQBDLQ-MOCYHFFHSA-N

InChi (Click to copy)

InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,37-38H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t37-,38-/m0/s1

SMILES (Click to copy)

[C@H]1(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(C)=CC(=O)CC2(C)C)C(C)=CC(=O)CC1(C)C

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Acanthochitona rubrolineata (#761904)

Polyplacophora (#6650)

Comparative biochemical studies of carotenoids in marine invertebrates - the first positive identification of ε,ε-carotene derivatives and isolation of two new carotenoids from chitons".,
Comparative Biochemistry and Physiology, 1989

DOI: 10.1016/0305-0491(89)90393-3

Sebastes flavidus (#72076)

Actinopteri (#186623)

Comparative biochemical studies of carotenoids in fishes - XXVII. Stereochemical investigation of carotenoids from yellow-tail rockfish Sebastes flavidus,
NIPPON SUISAN GAKKAISH, 1985

DOI: 10.2331/suisan.51.2033