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

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retinal

MNXM1793 is deprecated and here replaced by MNXM1105989
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1105989
reference	chebi:15035
formula	C₂₀H₂₈O
global charge	0
mol weight	284.443
InChIKey	NCYCYZXNIZJOKI-UHFFFAOYSA-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
SMILES	CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=O

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)	12
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15035 chebi:15035 NCYCYZXNIZJOKI-UHFFFAOYSA-N	retinal 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal
hmdb:HMDB0244342 NCYCYZXNIZJOKI-UHFFFAOYSA-N	(2Z,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal 13-cis-Retinal 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal retinal
metacyc.compound:Retinals metacycM:Retinals NCYCYZXNIZJOKI-UHFFFAOYSA-N	a retinal Vitamin A Vitamin A1
sabiork.compound:2031 sabiorkM:2031 NCYCYZXNIZJOKI-UHFFFAOYSA-N	all-trans-Retinal All-trans-Retinal All-trans-Retinene All-trans-Vitamin A aldehyde Retinal Retinaldehyde Retinene Vitamin A aldehyde all-trans-Retinene all-trans-Vitamin A aldehyde
SLM:000001062 slm:000001062 NCYCYZXNIZJOKI-UHFFFAOYSA-N	retinal