CHEBI:187008 - Egregiachloride C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Egregiachloride C
ChEBI ID CHEBI:187008
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H29ClO3
Net Charge 0
Average Mass 352.900
Monoisotopic Mass 352.18052
InChI InChI=1S/C20H29ClO3/c1-2-17(21)16-14-18-20(24-18)15(16)12-10-8-6-4-3-5-7-9-11-13-19(22)23/h4-7,10,12,15-18,20H,2-3,8-9,11,13-14H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-/t15-,16+,17-,18-,20+/m0/s1
InChIKey ZPCHFWGBCMRNFG-LUZGOERCSA-N
SMILES Cl[C@H]([C@]1([C@@H]([C@H]2O[C@H]2C1)/C=C\C/C=C\C/C=C\CCCC(O)=O)[H])CC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Egregiachloride C (CHEBI:187008) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(5Z,8Z,11Z)-12-[(1R,2S,3R,5S)-3-[(1S)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]dodeca-5,8,11-trienoic acid
Manual Xrefs Databases
113369770 ChemSpider
LMFA03120054 LIPID MAPS
View more database links