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

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all-trans-retinyl hexadecanoate

	Properties	Image
MNX_ID	MNXM1137721
reference	chebi:17616
formula	C₃₆H₆₀O₂
global charge	0
mol weight	524.874
InChIKey	VYGQUTWHTHXGQB-FFHKNEKCSA-N
InChI	InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+
SMILES	CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C

MNX internals

InChI (mnx)	InChI=1/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+
SMILES (mnx)	[CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:25][C:35](=[O:37])[O:38][CH2:30]/[CH:28]=[C:32]([CH3:3])/[CH:23]=[CH:20]/[CH:22]=[C:31]([CH3:2])/[CH:26]=[CH:27]/[C:34]1=[C:33]([CH3:4])[CH2:24][CH2:21][CH2:29][C:36]1([CH3:5])[CH3:6]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	7

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-2534404 reactomeM:R-ALL-2534404 reactome:R-ALL-2534405 reactomeM:R-ALL-2534405 reactome:R-ALL-2534407 reactomeM:R-ALL-2534407 reactome:R-ALL-2864097 reactomeM:R-ALL-2864097 reactome:R-ALL-975591 reactomeM:R-ALL-975591 CHEBI:17616 chebi:17616 VYGQUTWHTHXGQB-FFHKNEKCSA-N	all-trans-retinyl hexadecanoate (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl hexadecanoate (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8,tetraenyl hexadecanoic acid ester (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate Afaxin Alphalin Aquasol A Arovit Chocola A O(15)-hexadecanoylretinol Optovit-A all-trans-retinol palmitate all-trans-retinyl palmitate retinol hexadecanoate retinol palmitate retinyl hexadecanoate retinyl palmitate trans-retinol palmitate trans-retinyl palmitate vitamin A palmitate
sabiork.compound:2455 sabiorkM:2455 VYGQUTWHTHXGQB-FFHKNEKCSA-N	All-trans-Retinyl palmitate Retinol palmitate Retinyl palmitate Vitamin A palmitate all-trans-Retinyl palmitate
SLM:000000509 slm:000000509 VYGQUTWHTHXGQB-UHFFFAOYSA-N	All-trans-retinyl hexadecanoate all-trans-retinyl palmitate
kegg.drug:D00164 keggD:D00164 VYGQUTWHTHXGQB-FFHKNEKCSA-N	Retinol palmitate (JP18) Aquasol A (TN)
seed.compound:cpd01691 seedM:cpd01691 VYGQUTWHTHXGQB-FFHKNEKCSA-N	Retinol palmitate Retinyl palmitate Vitamin A palmitate all-trans-Retinyl palmitate all-trans-retinyl palmitate aquasol A chocola A retinol, hexadecanoate retinol-palmitate vitamin A palmitate
bigg.metabolite:M02837 biggM:M02837 VYGQUTWHTHXGQB-FFHKNEKCSA-N	Retinyl Palmitate
vmhM:M02837 vmhmetabolite:M02837 VYGQUTWHTHXGQB-FFHKNEKCSA-N	Retinyl Palmitate (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate
hmdb:HMDB0003648 VYGQUTWHTHXGQB-FFHKNEKCSA-N	Retinyl palmitate (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl hexadecanoate (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl hexadecanoic acid (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8,tetraenyl hexadecanoate ester (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8,tetraenyl hexadecanoic acid ester (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate Afaxin Alphalin Aquapalm Aquasol a Arovit Axerophthol palmitate Chocola a Dispatabs tabs Ester found in fish liver oils Lutavit a 500 plus Myvak Myvax O(15)-Hexadecanoylretinol Optovit a Optovit-a Retinol hexadecanoate Retinol hexadecanoic acid Retinol palmitate Retinol palmitic acid Retinyl hexadecanoate Retinyl hexadecanoic acid Retinyl palmitic acid Testavol S Vitamin a palmitate Vitamin a palmitic acid Vitazyme a all-trans-Retinol palmitate all-trans-Retinol palmitic acid all-trans-Retinyl hexadecanoate all-trans-Retinyl hexadecanoic acid all-trans-Retinyl palmitate all-trans-Retinyl palmitic acid all-trans-Vitamin a palmitate trans-Retinol palmitate trans-Retinol palmitic acid trans-Retinyl palmitate trans-Retinyl palmitic acid vitamin a palmitate
kegg.compound:C02588 keggC:C02588 VYGQUTWHTHXGQB-FFHKNEKCSA-N	Retinyl palmitate Retinol palmitate Vitamin A palmitate all-trans-Retinyl palmitate
lipidmaps:LMPR01090013 lipidmapsM:LMPR01090013 VYGQUTWHTHXGQB-FFHKNEKCSA-N	all-trans-retinyl Palmitate (2E,4E,6E,8E)-Hexadecanoic acid 3,7-dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2, 4,6,8,tetraenyl ester
metacyc.compound:CHOCOLA_A metacycM:CHOCOLA_A VYGQUTWHTHXGQB-FFHKNEKCSA-N	all-trans-retinyl palmitate aquasol A chocola A retinol, hexadecanoate retinol-palmitate vitamin A palmitate
hmdb:HMDB03648 chebi:12784 chebi:26542 chebi:8819 biggM:M_M02837 keggC:M_C02588 keggD:M_D00164 seedM:M_cpd01691 vmhM:M_M02837	secondary/obsolete/fantasy identifier