CHEBI:89567 - CE(15:1)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name CE(15:1)
ChEBI ID CHEBI:89567
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C42H72O2
Net Charge 0
Average Mass 609.021
Monoisotopic Mass 608.55323
InChI InChI=1S/C42H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-40(43)44-35-27-29-41(5)34(31-35)23-24-36-38-26-25-37(33(4)21-19-20-32(2)3)42(38,6)30-28-39(36)41/h11-12,23,32-33,35-39H,7-10,13-22,24-31H2,1-6H3/b12-11+/t33-,35+,36+,37?,38+,39+,41+,42-/m1/s1
InChIKey TWLPMPGSSFTOAZ-VVLOTQQHSA-N
SMILES C1[C@@H](CC=2[C@](C1)([C@@]3([C@@](CC2)([C@]4([C@@](CC3)(C)C(CC4)[C@@H](CCCC(C)C)C)[H])[H])[H])C)OC(=O)CCCCCCC/C=C/CCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
ChEBI Ontology
Outgoing CE(15:1) (CHEBI:89567) is a cholesteryl ester (CHEBI:17002)
Synonym Source
(1S,2R,5S,10S,11S,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (9E)-pentadec-9-enoate HMDB
Manual Xref Database
HMDB0060056 HMDB
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Citation Waiting for Citations Type Source
20671299 PubMed citation Europe PMC