Preferred Name

isopropyl palmitate

Synonyms

propan-2-yl hexadecanoate

isopropyl n-hexadecanoate

palmitic acid isopropyl ester

1-methylethyl hexadecanoate

isopropyl hexadecanoate

Definitions

A fatty acid ester obtained by the formal condensation of carboxy group of palmitic acid with propan-2-ol. Metabolite observed in cancer metabolism.

ID

http://purl.obolibrary.org/obo/CHEBI_84262

charge

0

database_cross_reference

KEGG:D04632

LIPID_MAPS_instance:LMFA07010675

Wikipedia:Isopropyl_palmitate

Reaxys:1786567

HMDB:HMDB0035474

CAS:142-91-6

PMID:25272650

PMID:25518943

definition

A fatty acid ester obtained by the formal condensation of carboxy group of palmitic acid with propan-2-ol. Metabolite observed in cancer metabolism.

formula

C19H38O2

has functional parent

http://purl.obolibrary.org/obo/CHEBI_15756

has role

http://purl.obolibrary.org/obo/CHEBI_77746

has_exact_synonym

propan-2-yl hexadecanoate

has_obo_namespace

chebi_ontology

has_related_synonym

isopropyl n-hexadecanoate

palmitic acid isopropyl ester

1-methylethyl hexadecanoate

isopropyl hexadecanoate

id

CHEBI:84262

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

inchi

InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3

inchikey

XUGNVMKQXJXZCD-UHFFFAOYSA-N

label

isopropyl palmitate

mass

298.50380

monoisotopicmass

298.28718

notation

CHEBI:84262

prefLabel

isopropyl palmitate

smiles

CCCCCCCCCCCCCCCC(=O)OC(C)C

treeView

http://purl.obolibrary.org/obo/CHEBI_35748

http://purl.obolibrary.org/obo/CHEBI_35725

subClassOf

http://purl.obolibrary.org/obo/CHEBI_35748

http://purl.obolibrary.org/obo/CHEBI_35725

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