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9-cis-retinal

PropertiesImage
MNX_IDMNXM1364170 Image of MNXM1364170
referencemetacycM:CPD-13536
formulaC20H28O
global charge0
mol weight284.443
InChIKeyNCYCYZXNIZJOKI-BOOMUCAASA-N
InChIInChI=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-
SMILESCC1=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- Image of MNXM1364170
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)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-13536
metacycM:CPD-13536
NCYCYZXNIZJOKI-BOOMUCAASA-N
9-cis-retinal