CHEBI:138584 - 18-hydroxythromboxane A2

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ChEBI Name 18-hydroxythromboxane A2
ChEBI ID CHEBI:138584
ChEBI ASCII Name 18-hydroxythromboxane A2
Definition A thromboxane A that is thromboxane A2 carrying an additional hydroxy substituent at position 18.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H32O6
Net Charge 0
Average Mass 368.465
Monoisotopic Mass 368.21989
InChI InChI=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
InChIKey BFIKSPBWSHKXFY-XLQYSURASA-N
SMILES C1[C@H]2[C@@H]([C@H](O[C@@H]1O2)/C=C/[C@H](CCC(CC)O)O)C/C=C\CCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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ChEBI Ontology
Outgoing 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 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-TXA2 ChEBI
Last Modified
02 October 2017