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2-oxooctadecanoate

PropertiesImage
MNX_IDMNXM2071 Image of MNXM2071
referencechebi:17162
formulaC18H33O3
global charge-1
mol weight297.459
InChIKeyJUCAMRNDACLKGY-UHFFFAOYSA-M
InChIInChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h2-16H2,1H3,(H,20,21)/p-1
SMILESCCCCCCCCCCCCCCCCC(=O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h2-16H2,1H3,(H,20,21) Image of MNXM2071
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C:17]([C:18]([OH:20])=[O:21])=[O:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17162
chebi:17162
JUCAMRNDACLKGY-UHFFFAOYSA-M
2-oxooctadecanoate
2-oxostearate

kegg.compound:C00869
keggC:C00869
JUCAMRNDACLKGY-UHFFFAOYSA-N
2-Oxooctadecanoic acid
2-Oxostearate

seed.compound:cpd00645
seedM:cpd00645
JUCAMRNDACLKGY-UHFFFAOYSA-M
2-Oxostearate
2-Oxooctadecanoic acid
2-oxostearate

lipidmaps:LMFA02000262
lipidmapsM:LMFA02000262
JUCAMRNDACLKGY-UHFFFAOYSA-N
2-oxo-octadecanoic acid
2-oxo-octadecanoic acid
FA 18:1
O

CHEBI:30820
chebi:30820
JUCAMRNDACLKGY-UHFFFAOYSA-N
2-oxooctadecanoic acid
2-Oxooctadecanoic acid
2-oxo-octadecanoic acid
2-oxostearic acid

metacyc.compound:2-OXOSTEARATE
metacycM:2-OXOSTEARATE
JUCAMRNDACLKGY-UHFFFAOYSA-M
2-oxostearate

envipath:...06ea186a691f
envipathM:...06ea186a691f
JUCAMRNDACLKGY-UHFFFAOYSA-M
compound 0065980

chebi:11645
chebi:1260
chebi:19755
chebi:19756
keggC:M_C00869
seedM:M_cpd00645
secondary/obsolete/fantasy identifier