LIPID MAPS

Structure Database (LMSD)

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Common Name

4-Hydroxymytiloxanthin

Systematic Name

(3S,4S,3'S,5'R)-3,4,3',8'-Tetrahydroxy-7,8,didehydro-β,kappa-caroten-6'-one

Synonyms

LM ID

LMPR01070067

Formula

C₄₀H₅₄O₅

Exact Mass

Calculate m/z

614.397126

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Patiria pectinifera (#7594)

Asteroidea (#7588)

New acetylenic carotenoids from the starfishes Asterina pectinifera and Asterias amurensis

DOI: 10.1016/0305-0491(89)90054-0

String Representations

InChiKey (Click to copy)

GOBUFJJNJJSVFH-ZDQLUEJSSA-N

InChi (Click to copy)

InChI=1S/C40H54O5/c1-27(17-13-18-29(3)21-22-33-31(5)37(45)35(43)26-38(33,6)7)15-11-12-16-28(2)19-14-20-30(4)34(42)23-36(44)40(10)25-32(41)24-39(40,8)9/h11-20,23,32,35,37,41-43,45H,24-26H2,1-10H3/b12-11+,17-13+,19-14+,27-15+,28-16+,29-18+,30-20+,34-23-/t32-,35-,37-,40-/m0/s1

SMILES (Click to copy)

C1(C)(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([C@]2(C)C[C@@H](O)CC2(C)C)=O)=C(C)[C@H](O)[C@@H](O)C1