LIPID MAPS

Structure Database (LMSD)

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Systematic Name

androst-5-en-3β,16α-diol

Synonyms

LM ID

LMST02020006

Formula

C₁₉H₃₀O₂

Exact Mass

Calculate m/z

290.22458

Sum Composition

ST 19:1;O2

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

String Representations

InChiKey (Click to copy)

CVCDJRPXEWJAAY-UVSUZTNJSA-N

InChi (Click to copy)

InChI=1S/C19H30O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14+,15+,16-,17-,18+,19-/m0/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])CC[C@]4(C)C[C@H](O)C[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

Other Databases

KEGG ID

C14631

CHEBI ID

34452

LIPIDBANK ID

SST0027

PubChem CID

19274

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 4

Aromatic Rings 0

Rotatable Bonds 0

Van der Waals Molecular Volume 302.76

Topological Polar Surface Area 40.46

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 4.24

Molar Refractivity 84.74

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