LIPID MAPS

Structure Database (LMSD)

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Common Name

7-oxocholesterol(d7)

Systematic Name

7-oxo-cholest-5-en-3β-ol(d7)

Synonyms

LM ID

LMST01010005

Formula

C₂₇H₃₇D₇O₂

Exact Mass

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407.378069

Status

Active (Isotopically labelled standard)

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Main

Classification

String Representations

InChiKey (Click to copy)

YIKKMWSQVKJCOP-KVZGVLACSA-N

InChi (Click to copy)

InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1/i1D3,2D3,17D

SMILES (Click to copy)

[C@]12(C(=O)C=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])CC[C@@]21[H])[H]

References

Comments

Synthetic deuterated standard

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Synthetic deuterated standard

Other Databases

HMDB ID

HMDB00501

PubChem CID

3247054

Cayman ID

25972

Admin

Created at

Updated at

29th Jan 2021