LIPID MAPS

Structure Database (LMSD)

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Common Name

Tedanin

Systematic Name

3-Hydroxy-2,3-didehydro-β,chi-caroten-4-one

Synonyms

LM ID

LMPR01070996

Formula

C₄₀H₄₈O₂

Exact Mass

Calculate m/z

560.36543

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

PSERCYDQQNQSDV-QQPMRPJESA-N

InChi (Click to copy)

InChI=1S/C40H48O2/c1-28(17-13-19-30(3)21-24-36-25-23-32(5)33(6)34(36)7)15-11-12-16-29(2)18-14-20-31(4)22-26-37-35(8)39(42)38(41)27-40(37,9)10/h11-27,41H,1-10H3/b12-11+,17-13+,18-14+,24-21+,26-22+,28-15+,29-16+,30-19+,31-20+

SMILES (Click to copy)

C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=CC=C(C)C(C)=C2C)=C(C)C(=O)C=1O

References

Comments

Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Agelas mauritiana (#85777)

Demospongiae (#6042)

Biochemical studies of the carotenoids in porifera distribution of the carotenoids in porifera.,
NIPPON SUISAN GAKKAISHI, 1978

DOI: 10.2331/suisan.44.1283

Other Databases

PubChem CID

23425054

Carotenoid ID

CA00732

Calculated Physicochemical Properties

Heavy Atoms 42

Rings 2

Aromatic Rings 1

Rotatable Bonds 10

Van der Waals Molecular Volume 642.92

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 11.00

Molar Refractivity 183.47

Admin

Created at

17th Nov 2021

Updated at

10th Jan 2022