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Avocadyne 1-acetate

PropertiesImage
MNX_IDMNXM119563 Image of MNXM119563
referencechebi:168762
formulaC19H34O4
global charge0
mol weight326.477
InChIKeyJAKAZHIACKJNNB-UHFFFAOYSA-N
InChIInChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h1,18-19,21-22H,4-16H2,2H3
SMILESC#CCCCCCCCCCCCC(O)CC(O)COC(C)=O
MNX internals
InChI (mnx)InChI=1/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h1,18-19,21-22H,4-16H2,2H3/t18?,19? Image of MNXM119563
SMILES (mnx)[CH:1]#[C:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH:18]([CH2:15][CH:19]([CH2:16][O:23][C:17]([CH3:2])=[O:20])[OH:22])[OH:21]
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:168762
chebi:168762
JAKAZHIACKJNNB-UHFFFAOYSA-N
Avocadyne 1-acetate
2,4-dihydroxyheptadec-16-ynyl acetate
hmdb:HMDB0031048
JAKAZHIACKJNNB-UHFFFAOYSA-N
Avocadyne 1-acetate
2,4-Dihydroxy-hdyac
2,4-Dihydroxyheptadec-16-ynyl acetate
2,4-dihydroxyheptadec-16-yn-1-yl acetate
Avocadyne 1-acetic acid

lipidmaps:LMFA05000644
lipidmapsM:LMFA05000644
JAKAZHIACKJNNB-UHFFFAOYSA-N
Avocadyne 1-acetate
2,4-dihydroxyheptadec-16-yn-1-yl acetate
FOH 19:3
O3

hmdb:HMDB31048
secondary/obsolete/fantasy identifier