CHEBI:9928 - Valtratum

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Valtratum
ChEBI ID CHEBI:9928
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H30O8
Net Charge 0
Average Mass 422.470
Monoisotopic Mass 422.19407
InChI InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1
InChIKey BDIAUFOIMFAIPU-KVJIRVJXSA-N
SMILES CC(C)CC(=O)O[C@H]1C=C2[C@H]([C@H](OC(=O)CC(C)C)OC=C2COC(C)=O)[C@@]11CO1
ChEBI Ontology
Outgoing Valtratum (CHEBI:9928) is a fatty acid ester (CHEBI:35748)
Synonyms Sources
Valtrate KEGG COMPOUND
Valtratum KEGG COMPOUND
Manual Xrefs Databases
C00003101 KNApSAcK
C09801 KEGG COMPOUND
View more database links
Registry Number Type Source
18296-44-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014