LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Amarouciaxanthin B

Systematic Name

(3R,6'S)-3,6'-Dihydroxy-7,8-didehydro-7',8'-dihydro-β,ε-carotene-3',8'-dione

Synonyms

Sidnyaxanthin

LM ID

LMPR01070079

Formula

C₄₀H₅₂O₄

Exact Mass

Calculate m/z

596.38656

Status

Active

Show lipids differing only in stereochemistry/bond geometry

View MassBank spectra

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Aplidium pliciferum (#322837)

Ascidiacea (#7713)

Carotenoids of tunicates. III. The structural elucidation of two new marine carotenoids, amarouciaxanthin A and B.,
J Nat Prod, 1985

Pubmed ID: 3840198

String Representations

InChiKey (Click to copy)

XUKJTNSSWNXSQU-OMEVNMJGSA-N

InChi (Click to copy)

InChI=1S/C40H52O4/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)25-38(36,7)8)15-11-12-16-29(2)19-14-20-31(4)37(43)27-40(44)33(6)24-35(42)26-39(40,9)10/h11-20,24,34,41,44H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t34-,40-/m1/s1

SMILES (Click to copy)

C1(=C(C)C[C@@H](O)CC1(C)C)C#C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)C[C@@]1(O)C(C)=CC(=O)CC1(C)C