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

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retinyl acetate

MNXM80735 is deprecated and here replaced by MNXM740394
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM740394
reference	chebi:32095
formula	C₂₂H₃₂O₂
global charge	0
mol weight	328.496
InChIKey	QGNJRVVDBSJHIZ-QHLGVNSISA-N
InChI	InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+
SMILES	CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C

MNX internals

InChI (mnx)	InChI=1/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+
SMILES (mnx)	[CH3:1][C:17](=[CH:9]\[CH:7]=[CH:10]\[C:18]([CH3:2])=[CH:14]\[CH2:16][O:24][C:20]([CH3:4])=[O:23])/[CH:12]=[CH:13]/[C:21]1=[C:19]([CH3:3])[CH2:11][CH2:8][CH2:15][C:22]1([CH3:5])[CH3:6]

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:32095 chebi:32095 QGNJRVVDBSJHIZ-QHLGVNSISA-N	retinyl acetate (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl acetate O(15)-acetylretinol Retinol acetate Vitamin A alcohol acetate all-trans-Retinol acetate all-trans-Retinyl acetate all-trans-Vitamin A acetate
kegg.drug:D12714 keggD:D12714 QGNJRVVDBSJHIZ-QHLGVNSISA-N	Gildeuretinol acetate (USAN)
lipidmaps:LMPR01090012 lipidmapsM:LMPR01090012 QGNJRVVDBSJHIZ-QHLGVNSISA-N	Retinol Acetate/All-trans-retinyl Acetate Retinyl acetate
kegg.drug:D01621 keggD:D01621 QGNJRVVDBSJHIZ-QHLGVNSISA-N	Retinol acetate (JP18)
kegg.compound:C13081 keggC:C13081 QGNJRVVDBSJHIZ-QHLGVNSISA-N	Retinol acetate Retinyl acetate Vitamin A acetate all-trans-Retinol acetate
keggC:M_C13081 keggD:M_D01621 keggD:M_D12714	secondary/obsolete/fantasy identifier