CHEBI:136539 - 11-dehydro-thromboxane B₂(1−)

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ChEBI Name 11-dehydro-thromboxane B2(1−) ChEBI ID CHEBI:136539 ChEBI ASCII Name 11-dehydro-thromboxane B2(1-) Definition A thromboxane anion that is the conjugate base of 11-dehydro-thromboxane B2, obtained by deprotonation of the carboxy group; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H31O6 Net Charge -1 Average Mass 367.457 Monoisotopic Mass 367.21261 InChI InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/p-1/b7-4-,13-12+/t15-,16-,17-,18+/m0/s1 InChIKey KJYIVXDPWBUJBQ-UHHGALCXSA-M SMILES C1[C@@H]([C@@H]([C@H](OC1=O)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)[O-])O ChEBI Ontology Outgoing 11-dehydro-thromboxane B2(1−) (CHEBI:136539) is a thromboxane anion (CHEBI:62945) 11-dehydro-thromboxane B2(1−) (CHEBI:136539) is conjugate base of 11-dehydro-thromboxane B2 (CHEBI:28667) Incoming 11-dehydro-thromboxane B2 (CHEBI:28667) is conjugate acid of 11-dehydro-thromboxane B2(1−) (CHEBI:136539) IUPAC Name (5Z,13E,15S)-9α,15-dihydroxy-11-oxothromboxa-5,13-dien-1-oate Synonyms Sources (5Z)-7-{(2R,3S,4S)-4-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-oxooxan-3-yl}hept-5-enoate IUPAC 11-dehydro-thromboxane B2 UniProt 11-dehydro-TXB22(1−) SUBMITTER Citation Last Modified 08 June 2017