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

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11-cis-retinyl hexadecanoate

MNXM730768 is deprecated and here replaced by MNXM1371269
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1371269
reference	chebi:16254
formula	C₃₆H₆₀O₂
global charge	0
mol weight	524.874
InChIKey	VYGQUTWHTHXGQB-SXFSSFKVSA-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)	6
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-2465964 reactomeM:R-ALL-2465964 reactome:R-ALL-8981418 reactomeM:R-ALL-8981418 CHEBI:16254 chebi:16254 VYGQUTWHTHXGQB-SXFSSFKVSA-N	11-cis-retinyl hexadecanoate (2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate 11-cis-Retinyl palmitate 11-cis-retinyl palmitate
vmhM:M00292 vmhmetabolite:M00292 VYGQUTWHTHXGQB-SXFSSFKVSA-N	11-Cis-Retinyl-Palmitate (2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate
sabiork.compound:6637 sabiorkM:6637 kegg.compound:C03455 keggC:C03455 VYGQUTWHTHXGQB-SXFSSFKVSA-N	11-cis-Retinyl palmitate
hmdb:HMDB0060338 VYGQUTWHTHXGQB-SXFSSFKVSA-N	11-cis-Retinyl palmitate (2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate 11-cis-Retinyl hexadecanoate 11-cis-Retinyl hexadecanoic acid 11-cis-Retinyl palmitic acid 11-cis-retinyl palmitate
seed.compound:cpd02184 seedM:cpd02184 VYGQUTWHTHXGQB-SXFSSFKVSA-N	11-cis-Retinyl palmitate 11-cis-retinyl palmitate
lipidmaps:LMPR01090052 lipidmapsM:LMPR01090052 VYGQUTWHTHXGQB-SXFSSFKVSA-N	11-cis-retinyl palmitate 11-cis-Retinyl palmitate 11-cis-retinyl palmitate 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2E,4Z,6E,8E-tetraen-1-yl hexadecanoate
hmdb:HMDB0062280 hmdb:HMDB60338 hmdb:HMDB62280 chebi:11313 chebi:19121 chebi:729 keggC:M_C03455 seedM:M_cpd02184 vmhM:M_M00292	secondary/obsolete/fantasy identifier