LIPID MAPS

Structure Database (LMSD)

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Systematic Name

5β-Chol-14-en-24-oic Acid

Synonyms

LM ID

LMST04010144

Formula

C₂₄H₃₈O₂

Exact Mass

Calculate m/z

358.28718

Sum Composition

ST 24:2;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

String Representations

InChiKey (Click to copy)

BRXGJELLNLEQTJ-RXXPFFJOSA-N

InChi (Click to copy)

InChI=1S/C24H38O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h11,16-19,21H,4-10,12-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,21+,23+,24-/m1/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)=O)CC=C4[C@]3([H])CC[C@]2([H])CCC1

Other Databases

LIPIDBANK ID

BBA0144

PubChem CID

5283920

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 4

Aromatic Rings 0

Rotatable Bonds 4

Van der Waals Molecular Volume 386.62

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 6.46

Molar Refractivity 105.84

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