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CHEBI:165347 - 11-Dehydro-TXB3

ChEBI IDCHEBI:165347
ChEBI Name11-Dehydro-TXB3
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O6
Net Charge0
Average Mass366.454
Monoisotopic Mass366.20424
SMILESCC/C=C\C[C@H](O)/C=C/[C@H]1OC(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O6/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/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,23,24)/b6-3-,7-4-,13-12+/t15-,16-,17-,18+/m0/s1
InChIKeyOAHMLWQISGEXBB-XMEKLSCHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
11-Dehydro-TXB3 (CHEBI:165347) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(Z)-7-[(2R,3S,4S)-4-hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-6-oxooxan-3-yl]hept-5-enoic acid
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17220798ChemSpider
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