Structure Database (LMSD)

Common Name
(9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid
Systematic Name
(9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid
Synonyms
  • (9S,10S)-10-hydroxy-9-(phosphonooxy)stearic acid
LM ID
LMFA00000008
Formula
C18H37O7P
Exact Mass
Calculate m/z
396.227693
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Other Fatty Acyls [FA00]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
UELBXEKQONEDKM-IRXDYDNUSA-N
InChi (Click to copy)
InChI=1S/C18H37O7P/c1-2-3-4-5-7-10-13-16(19)17(25-26(22,23)24)14-11-8-6-9-12-15-18(20)21/h16-17,19H,2-15H2,1H3,(H,20,21)(H2,22,23,24)/t16-,17-/m0/s1
SMILES (Click to copy)
C(O)(=O)CCCCCCC[C@H](OP(O)(O)=O)[C@@H](O)CCCCCCCC

Other Databases

KEGG ID
C15989
HMDB ID
HMDB0059632
CHEBI ID
49253
PubChem CID
23724633
SwissLipids ID
SLM:000390048

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 398.68
Topological Polar Surface Area 124.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 5.30
Molar Refractivity 101.62

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Created at
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Updated at
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