CHEBI:180452 - Egregiachloride A

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ChEBI Name Egregiachloride A
ChEBI ID CHEBI:180452
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H27ClO3
Net Charge 0
Average Mass 326.860
Monoisotopic Mass 326.16487
InChI InChI=1S/C18H27ClO3/c1-2-15(19)14-12-16-18(22-16)13(14)10-8-6-4-3-5-7-9-11-17(20)21/h3-4,8,10,13-16,18H,2,5-7,9,11-12H2,1H3,(H,20,21)/b4-3-,10-8-/t13-,14+,15-,16-,18+/m0/s1
InChIKey BUSAMCWWFKPNGV-SOVGUPCDSA-N
SMILES Cl[C@H]([C@]1([C@@H]([C@H]2O[C@H]2C1)/C=C\C/C=C\CCCCC(O)=O)[H])CC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Egregiachloride A (CHEBI:180452) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
(6Z,9Z)-10-[(1R,2S,3R,5S)-3-[(1S)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid
Manual Xrefs Databases
23339750 ChemSpider
LMFA03120052 LIPID MAPS
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