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CHEBI:188084 - sodium chlorovulone III

ChEBI IDCHEBI:188084
ChEBI Namesodium chlorovulone III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27O5.Na
Net Charge0
Average Mass370.421
Monoisotopic Mass370.17562
SMILESCCCCC/C=C\C[C@]1(O)C=CC(=O)/C1=C\C=C\[C@H](O)CCC(=O)[O-].[Na+]
InChIInChI=1S/C20H28O5.Na/c1-2-3-4-5-6-7-14-20(25)15-13-18(22)17(20)10-8-9-16(21)11-12-19(23)24;/h6-10,13,15-16,21,25H,2-5,11-12,14H2,1H3,(H,23,24);/q;+1/p-1/b7-6-,9-8+,17-10+;/t16-,20-;/m0./s1
InChIKeyICZJDNWGJZIQSG-CKLOKKQLSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
sodium chlorovulone III (CHEBI:188084) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
sodium;(E,4R,7Z)-4-hydroxy-7-[(2S)-2-hydroxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
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