Structure database (LMSD)

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LM IDLMFA03030004
Common Name11-dehydro-TXB2
Systematic Name9S,15S-dihydroxy-11-oxo-thromboxa-5Z,13E-dien-1-oic acid
Synonyms11-dehydro-Thromboxane B2
Exact Mass
368.2199 (neutral)    Calculate m/z:
FormulaC20H32O6
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassThromboxanes [FA0303]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105], Carbocyclic fatty acids[FA0114]
LIPIDBANK IDXPR2121
PubChem CID5280891
KEGG IDC05964
HMDB IDHMDB04242
CHEBI ID28667
CAYMAN ID19500
InChIKeyKJYIVXDPWBUJBQ-UHHGALCXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-1
1-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/
t15-,16-,17-,18+/m0/s1
SMILESC1[C@H](O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/[C@@H](O)CCCCC)OC1=O
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings1Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
384.38Topological Polar
Surface Area
106.13Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP3.84Molar
Refractivity
100.06