EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79000 - (2E)-2-heptadecenoic acid

ChEBI IDCHEBI:79000
ChEBI Name(2E)-2-heptadecenoic acid
Stars
ASCII Name(2E)-2-heptadecenoic acid
DefinitionA heptadecenoic acid in which the olefinic double bond is at the 2-3 position.
Last Modified15 January 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H32O2
Net Charge0
Average Mass268.441
Monoisotopic Mass268.24023
SMILESCCCCCCCCCCCCCC/C=C/C(=O)O
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)/b16-15+
InChIKeyGEHPRJRWZDWFBJ-FOCLMDBBSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2E)-2-heptadecenoic acid (CHEBI:79000) is a heptadecenoic acid (CHEBI:36001)
(2E)-2-heptadecenoic acid (CHEBI:79000) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
Incoming Relation(s)
(2E,16R)-16-hydroxyheptadec-2-enoic acid (CHEBI:78999) has functional parent (2E)-2-heptadecenoic acid (CHEBI:79000)
(2E)-17-hydroxyheptadec-2-enoic acid (CHEBI:79175) has functional parent (2E)-2-heptadecenoic acid (CHEBI:79000)
(2E)-2-heptadecenoate (CHEBI:746911) is conjugate base of (2E)-2-heptadecenoic acid (CHEBI:79000)
IUPAC Name 
(2E)-heptadec-2-enoic acid
Synonyms  Source
trans-heptadec-2-enoic acidChEBI
(E)-heptadec-2-enoic acidChEBI
trans-2-heptadecenoic acidChEBI
(E)-2-heptadecenoic acidChEBI
Manual XrefsDatabases
LMFA01030059LIPID MAPS
Registry NumbersSources
Reaxys:1781110Reaxys
CAS:26265-99-6ChemIDplus