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

Feedback

(3S)-11-cis-3-hydroxyretinal

MNXM33104 is deprecated and here replaced by MNXM733848
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM733848
reference	chebi:52227
formula	C₂₀H₂₈O₂
global charge	0
mol weight	300.442
InChIKey	QPRQNCDEPWLQRO-GQSKFBJNSA-N
InChI	InChI=1S/C20H28O2/c1-15(7-6-8-16(2)11-12-21)9-10-19-17(3)13-18(22)14-20(19,4)5/h6-12,18,22H,13-14H2,1-5H3/b8-6-,10-9+,15-7+,16-11+/t18-/m0/s1
SMILES	CC1=C(/C=C/C(C)=C/C=C\C(C)=C\C=O)C(C)(C)C[C@@H](O)C1

MNX internals

InChI (mnx)	InChI=1/C20H28O2/c1-15(7-6-8-16(2)11-12-21)9-10-19-17(3)13-18(22)14-20(19,4)5/h6-12,18,22H,13-14H2,1-5H3/b8-6-,10-9+,15-7+,16-11+/t18-/m0/s1
SMILES (mnx)	[CH3:1][C:15](=[CH:7]\[CH:6]=[CH:8]/[C:16]([CH3:2])=[CH:11]/[CH:12]=[O:21])/[CH:9]=[CH:10]/[C:19]1=[C:17]([CH3:3])[CH2:13][C@H:18]([OH:22])[CH2:14][C:20]1([CH3:4])[CH3:5]

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
CHEBI:52227 chebi:52227 QPRQNCDEPWLQRO-GQSKFBJNSA-N	(3S)-11-cis-3-hydroxyretinal (2E,4Z,6E,8E)-9-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenal
kegg.compound:C20428 keggC:C20428 QPRQNCDEPWLQRO-GQSKFBJNSA-N	(3S)-11-cis-3-Hydroxyretinal
lipidmaps:LMPR01090048 lipidmapsM:LMPR01090048 QPRQNCDEPWLQRO-GQSKFBJNSA-N	(3S)-11-cis-3-hydroxyretinal (2E,4Z,6E,8E)-9-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenal (3S)-11-cis-3-hydroxyretinal
seed.compound:cpd24298 seedM:cpd24298 QPRQNCDEPWLQRO-GQSKFBJNSA-N	(3S)-11-cis-3-hydroxyretinal (3S)-11-cis-3-Hydroxyretinal (3S)-3-hydroxy-11-cis-retinal
metacyc.compound:CPD-14328 metacycM:CPD-14328 QPRQNCDEPWLQRO-GQSKFBJNSA-N	(3S)-11-cis-3-hydroxyretinal (3S)-3-hydroxy-11-cis-retinal
CHEBI:81574 chebi:81574 QPRQNCDEPWLQRO-SKVGZCNQSA-N	11-cis-3-Hydroxyretinal
metacyc.compound:3-Hydroxy-11-cis-retinal metacycM:3-Hydroxy-11-cis-retinal QPRQNCDEPWLQRO-SKVGZCNQSA-N	11-cis-3-hydroxyretinal 3-hydroxy-11-cis-retinal 3-hydroxy-11-cis-retinaldehyde
keggC:M_C20428 seedM:M_cpd24298	secondary/obsolete/fantasy identifier