MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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Citronellyl propionate

	Properties	Image
MNX_ID	MNXM120653
reference	chebi:171788
formula	C₁₃H₂₄O₂
global charge	0
mol weight	212.333
InChIKey	POPNTVRHTZDEBW-UHFFFAOYSA-N
InChI	InChI=1S/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3
SMILES	CCC(=O)OCCC(C)CCC=C(C)C

MNX internals

InChI (mnx)	InChI=1/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3/t12?
SMILES (mnx)	[CH3:1][CH2:5][C:13](=[O:14])[O:15][CH2:10][CH2:9][CH:12]([CH3:4])[CH2:8][CH2:6][CH:7]=[C:11]([CH3:2])[CH3:3]

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
Identifier	Description
CHEBI:171788 chebi:171788 POPNTVRHTZDEBW-UHFFFAOYSA-N	Citronellyl propionate 3,7-dimethyloct-6-enyl propanoate
hmdb:HMDB0037226 POPNTVRHTZDEBW-UHFFFAOYSA-N	Citronellyl propionate (+)-3,7-Dimethyloct-6-enyl propionate (1)-3,7-Dimethyloct-6-enyl propionate 3,7-Dimethyl-6-octen-1-ol propanoate 3,7-Dimethyl-6-octen-1-yl propanoate 3,7-Dimethyl-6-octen-1-yl propionate 3,7-Dimethyl-6-octenyl propionate 3,7-dimethyloct-6-en-1-yl propanoate 6-Octen-1-ol, 3,7-dimethyl-, 1-propanoate 6-Octen-1-ol, 3,7-dimethyl-, propanoate 6-Octen-1-ol, 3,7-dimethyl-, propionate 6-Octen-1-ol, 3,7-dimethyl-, propionate (7ci,8ci) Citronellyl N-proprionate Citronellyl propanoate Citronellyl propianoate Citronellyl propionic acid FEMA 2316 Methyl diphenylphosphite Propionic acid, ester with citronellol Propionic acid, ester with citronellol (6ci) e410
lipidmaps:LMFA07010820 lipidmapsM:LMFA07010820 POPNTVRHTZDEBW-UHFFFAOYSA-N	Citronellyl propionate 3,7-dimethyloct-6-en-1-yl propanoate SFE 13:1
hmdb:HMDB37226	secondary/obsolete/fantasy identifier