LIPID MAPS

Structure Database (LMSD)

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Common Name

25-hydroxy-cholesterol(d3)

Systematic Name

cholest-5-en-3β,25-diol(d3)

Synonyms

LM ID

LMST01010002

Formula

C₂₇H₄₃D₃O₂

Exact Mass

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405.368611

Status

Active (Isotopically labelled standard)

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Main

Classification

String Representations

InChiKey (Click to copy)

INBGSXNNRGWLJU-HQTLNVIASA-N

InChi (Click to copy)

InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1/i2D3/t18-,20+,21+,22-,23+,24+,25?,26+,27-

SMILES (Click to copy)

[C@]12(CC=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])(O)C)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

KEGG ID

C15519

HMDB ID

HMDB06247

CHEBI ID

37616

PubChem CID

3247051

Admin

Created at

Updated at

29th Jan 2021