Spectrum LipidBlast2022_064295 for Cer 16:0;2O/22:6;(3OH)(FA 18:2)

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
C56H95NO5
861.72102514
O=C(OC(C=CCC=CCC=CCC=CCC=CCC=CCC)CC(=O)NC(CO)C(O)CCCCCCCCCCCCC)CCCCCCCCC=CC=CCCCCC
InChI=1S/C56H95NO5/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-35-38-41-44-47-52(62-56(61)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2)50-55(60)57-53(51-58)54(59)48-45-42-39-36-32-21-18-15-12-9-6-3/h7,10,16-17,19-20,23-26,29-30,35,38,44,47,52-54,58-59H,4-6,8-9,11-15,18,21-22,27-28,31-34,36-37,39-43,45-46,48-51H2,1-3H3,(H,57,60)/b10-7-,19-16-,20-17+,25-23+,26-24-,30-29-,38-35-,47-44-
FHGIJKSYWIROCP-DINWTWIISA-N