Structure Database (LMSD)

Common Name
11-cis-Retinoic acid
Systematic Name
Synonyms
LM ID
LMPR01090024
Formula
Exact Mass
Calculate m/z
300.20893
Status
Active

Classification

String Representations

InChiKey (Click to copy)
SHGAZHPCJJPHSC-JPXMXQIXSA-N
InChi (Click to copy)
InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6-,12-11+,15-8+,16-14+
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(=C/C=C\C(\C)=C\C(O)=O)/C)=C(C)CC1

Other Databases

CHEBI ID
LIPIDBANK ID
VVA0023
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 343.94
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.60
Molar Refractivity 93.76

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Created at
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Updated at
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