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3-oxo-heneicosanoic acid

PropertiesImage
MNX_IDMNXM28256 Image of MNXM28256
referencechebi:187419
formulaC21H40O3
global charge0
mol weight340.548
InChIKeyHIOTZLCGSPKFPF-UHFFFAOYSA-N
InChIInChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19-21(23)24/h2-19H2,1H3,(H,23,24)
SMILESCCCCCCCCCCCCCCCCCCC(=O)CC(=O)O
MNX internals
InChI (mnx)InChI=1/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19-21(23)24/h2-19H2,1H3,(H,23,24) Image of MNXM28256
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][CH2:17][CH2:18][C:20]([CH2:19][C:21](=[O:23])[OH:24])=[O:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:187419
chebi:187419
HIOTZLCGSPKFPF-UHFFFAOYSA-N
3-oxo-heneicosanoic acid
3-oxohenicosanoic acid

lipidmaps:LMFA01060137
lipidmapsM:LMFA01060137
HIOTZLCGSPKFPF-UHFFFAOYSA-N
3-oxo-heneicosanoic acid
3-oxo-heneicosanoic acid
FA 21:1
O