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

Feedback

all-trans-retinyl octadecanoate

	Properties	Image
MNX_ID	MNXM40800
reference	chebi:70761
formula	C₃₈H₆₄O₂
global charge	0
mol weight	552.928
InChIKey	YNGACJMSLZMZOX-FPFNAQAWSA-N
InChI	InChI=1S/C38H64O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-37(39)40-32-30-34(3)25-22-24-33(2)28-29-36-35(4)26-23-31-38(36,5)6/h22,24-25,28-30H,7-21,23,26-27,31-32H2,1-6H3/b25-22+,29-28+,33-24+,34-30+
SMILES	CCCCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C

MNX internals

InChI (mnx)	InChI=1/C38H64O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-37(39)40-32-30-34(3)25-22-24-33(2)28-29-36-35(4)26-23-31-38(36,5)6/h22,24-25,28-30H,7-21,23,26-27,31-32H2,1-6H3/b25-22+,29-28+,33-24+,34-30+
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][CH2:20][CH2:21][CH2:27][C:37](=[O:39])[O:40][CH2:32]/[CH:30]=[C:34]([CH3:3])/[CH:25]=[CH:22]/[CH:24]=[C:33]([CH3:2])/[CH:28]=[CH:29]/[C:36]1=[C:35]([CH3:4])[CH2:26][CH2:23][CH2:31][C:38]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
reactome:R-ALL-2534411 reactomeM:R-ALL-2534411 reactome:R-ALL-2534417 reactomeM:R-ALL-2534417 reactome:R-ALL-2534421 reactomeM:R-ALL-2534421 reactome:R-ALL-2864102 reactomeM:R-ALL-2864102 CHEBI:70761 chebi:70761 YNGACJMSLZMZOX-FPFNAQAWSA-N	all-trans-retinyl octadecanoate (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl octadecanoate (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl stearate O(15)-stearoylretinol O-stearoyl-all-trans-retinol Retinyl stearate Vitamin A stearate all-trans-retinyl stearate retinol, 15-octadecanoate retinol, octadeanoate stearic acid, ester with retinol
SLM:000389822 slm:000389822 YNGACJMSLZMZOX-FPFNAQAWSA-N	All-trans-retinyl octadecanoate all-trans-retinyl stearate
lipidmaps:LMPR01090014 lipidmapsM:LMPR01090014 YNGACJMSLZMZOX-FPFNAQAWSA-N	all-trans-retinyl stearate (2E,4E,6E,8E)-Octadecanoic acid3,7-dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2, 4,6,8,tetraenyl ester