Concept information
Preferred term
cholesteryl octadeca 9,12 dienoate
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
Narrower concepts
charge
- 0
formula
- C45H76O2
inchi
- InChI=1S/C45H76O2/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/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
inchikey
- NAACPBBQTFFYQB-XNTGVSEISA-N
mass
- 649.08374
monoisotopicmass
- 648.58453
smiles
- [H]C(CCCCC)=C([H])CC([H])=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
subset
- 3_STAR
synonym EXACT
- (3beta)-cholest-5-en-3-yl octadeca-9,12-dienoate
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:46903
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