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CHEBI:138584 - 18-hydroxythromboxane A2

ChEBI IDCHEBI:138584
ChEBI Name18-hydroxythromboxane A2
Stars
ASCII Name18-hydroxythromboxane A2
DefinitionA thromboxane A that is thromboxane A2 carrying an additional hydroxy substituent at position 18.
Last Modified2 October 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H32O6
Net Charge0
Average Mass368.470
Monoisotopic Mass368.21989
SMILESCCC(O)CC[C@H](O)/C=C/[C@H]1O[C@H]2C[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O6/c1-2-14(21)9-10-15(22)11-12-17-16(18-13-20(25-17)26-18)7-5-3-4-6-8-19(23)24/h3,5,11-12,14-18,20-22H,2,4,6-10,13H2,1H3,(H,23,24)/b5-3-,12-11+/t14?,15-,16+,17+,18-,20+/m0/s1
InChIKeyBFIKSPBWSHKXFY-XLQYSURASA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
18-hydroxythromboxane A2 (CHEBI:138584) has functional parent thromboxane A2 (CHEBI:15627)
18-hydroxythromboxane A2 (CHEBI:138584) has role human xenobiotic metabolite (CHEBI:76967)
18-hydroxythromboxane A2 (CHEBI:138584) is a diol (CHEBI:23824)
18-hydroxythromboxane A2 (CHEBI:138584) is a epoxy monocarboxylic acid (CHEBI:23931)
18-hydroxythromboxane A2 (CHEBI:138584) is a secondary allylic alcohol (CHEBI:134396)
18-hydroxythromboxane A2 (CHEBI:138584) is a thromboxanes A (CHEBI:36088)
18-hydroxythromboxane A2 (CHEBI:138584) is conjugate acid of 18-hydroxythromboxane A2(1−) (CHEBI:137989)
Incoming Relation(s)
18-hydroxythromboxane A2(1−) (CHEBI:137989) is conjugate base of 18-hydroxythromboxane A2 (CHEBI:138584)
IUPAC Name 
(5Z,13E,15S)-9α,11α-epoxy-15,18-dihydroxythromboxa-5,13-dien-1-oic acid
Synonym  Source
18-hydroxy-TXA2ChEBI