Terminology Service for NFDI4Health
cholesteryl octadec-9-enoate
Go to external page
http://purl.obolibrary.org/obo/CHEBI_46900
Term info
Label
cholesteryl octadec-9-enoate
Synonyms
- (3beta)-cholest-5-en-3-yl octadec-9-enoate
Subsets
3_STAR
charge
0
formula
C45H78O2
has obo namespace
chebi_ontology
id
CHEBI:46900
inchi
InChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
inchikey
RJECHNNFRHZQKU-XNTGVSEISA-N
mass
651.09962
monoisotopicmass
650.60018
smiles
[H]C(CCCCCCCC)=C([H])CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(C1)=CC[C@]1([H])[C@]2([H])CC[C@]2(C)[C@]([H])(CC[C@@]12[H])[C@H](C)CCCC(C)C