LIPID MAPS

Structure Database (LMSD)

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Common Name

5-Androstenetriol

Systematic Name

Synonyms

LM ID

LMST02020099

Formula

C₁₉H₃₀O₃

Exact Mass

Calculate m/z

306.219495

Sum Composition

ST 19:1;O3

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

String Representations

InChiKey (Click to copy)

GUGSXATYPSGVAY-DHKQUUGRSA-N

InChi (Click to copy)

InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-17,20-22H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,17-,18-,19-/m0/s1

SMILES (Click to copy)

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

Other Databases

HMDB ID

HMDB0000550

CHEBI ID

89531

PubChem CID

9818021

Cayman ID

35273

Calculated Physicochemical Properties

Heavy Atoms 22

Rings 4

Aromatic Rings 0

Rotatable Bonds 0

Van der Waals Molecular Volume 311.55

Topological Polar Surface Area 60.69

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 3

logP 3.50

Molar Refractivity 86.64

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Created at

Updated at

9th Jun 2022