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

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all-trans-retinal

	Properties	Image
MNX_ID	MNXM1364167
reference	chebi:17898
formula	C₂₀H₂₈O
global charge	0
mol weight	284.443
InChIKey	NCYCYZXNIZJOKI-OVSJKPMPSA-N
InChI	InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
SMILES	CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1

MNX internals

InChI (mnx)	InChI=1/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
SMILES (mnx)	[CH3:1][C:16](=[CH:8]\[CH:6]=[CH:9]\[C:17]([CH3:2])=[CH:13]\[CH:15]=[O:21])/[CH:11]=[CH:12]/[C:19]1=[C:18]([CH3:3])[CH2:10][CH2:7][CH2:14][C:20]1([CH3:4])[CH3:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	34
in models (compartimentalized)	25

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-2466098 reactomeM:R-ALL-2466098 reactome:R-ALL-30048 reactomeM:R-ALL-30048 reactome:R-ALL-5623648 reactomeM:R-ALL-5623648 reactome:R-ALL-975622 reactomeM:R-ALL-975622 CHEBI:17898 chebi:17898 NCYCYZXNIZJOKI-OVSJKPMPSA-N	all-trans-retinal (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal E-retinal all-E-retinal all-trans-retinaldehyde all-trans-retinene all-trans-vitamin A aldehyde axerophthal retinal retinaldehyde retinene retinene 1 retinyl aldehyde trans-retinal trans-vitamin A aldehyde vitamin A aldehyde vitamin A1 aldehyde
bigg.metabolite:retinal biggM:retinal NCYCYZXNIZJOKI-OVSJKPMPSA-N	All-trans-Retinal
SLM:000000435 slm:000000435 NCYCYZXNIZJOKI-UHFFFAOYSA-N	All-trans-retinal all-trans-retinal
hmdb:HMDB0001358 NCYCYZXNIZJOKI-OVSJKPMPSA-N	Retinal (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal 11 cis Retinal 11-cis-Retinal 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenal Aldehyde, vitamin a Axerophthal Retinaldehyde Retinene Retinene 1 Vitamin a aldehyde Vitamin a1 aldehyde all-e-Retinal all-epsilon-Retinal all-trans-Retinal all-trans-Retinaldehyde all-trans-Retinene all-trans-Vitamin a aldehyde alpha-Retinene e-Retinal epsilon-Retinal retinaldehyde trans-Retinal trans-Vitamin a aldehyde
lipidmaps:LMPR01090002 lipidmapsM:LMPR01090002 NCYCYZXNIZJOKI-OVSJKPMPSA-N	Retinal Retinal
kegg.compound:C00376 keggC:C00376 NCYCYZXNIZJOKI-OVSJKPMPSA-N	Retinal Retinene Vitamin A aldehyde all-trans-Retinal all-trans-Retinene all-trans-Vitamin A aldehyde
seed.compound:cpd00304 seedM:cpd00304 NCYCYZXNIZJOKI-OVSJKPMPSA-N	Retinal Retinene Vitamin A aldehyde all-trans-Retinal all-trans-Retinene all-trans-Vitamin A aldehyde all-trans-retinal all-trans-retinene axerophthal retinal retinaldehyde retinene vitamin A aldehyde
metacyc.compound:RETINAL metacycM:RETINAL NCYCYZXNIZJOKI-OVSJKPMPSA-N	all-trans-retinal all-trans-Vitamin A aldehyde all-trans-retinene axerophthal retinal retinaldehyde retinene vitamin A aldehyde
vmhM:retinal vmhmetabolite:retinal NCYCYZXNIZJOKI-OVSJKPMPSA-N	retinal (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal
hmdb:HMDB01358 chebi:12776 chebi:22348 chebi:8814 biggM:M_retinal keggC:M_C00376 seedM:M_cpd00304 vmhM:M_retinal	secondary/obsolete/fantasy identifier