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14'-apo-beta-carotenal

PropertiesImage
MNX_IDMNXM3791 Image of MNXM3791
referencechebi:17457
formulaC22H30O
global charge0
mol weight310.481
InChIKeyNGISIFNAHMKVQR-SSRYJDFZSA-N
InChIInChI=1S/C22H30O/c1-18(10-6-7-17-23)11-8-12-19(2)14-15-21-20(3)13-9-16-22(21,4)5/h6-8,10-12,14-15,17H,9,13,16H2,1-5H3/b7-6+,11-8+,15-14+,18-10+,19-12+
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=O)C(C)(C)CCC1
MNX internals
InChI (mnx)InChI=1/C22H30O/c1-18(10-6-7-17-23)11-8-12-19(2)14-15-21-20(3)13-9-16-22(21,4)5/h6-8,10-12,14-15,17H,9,13,16H2,1-5H3/b7-6+,11-8+,15-14+,18-10+,19-12+ Image of MNXM3791
SMILES (mnx)[CH3:1][C:18](=[CH:10]\[CH:6]=[CH:7]\[CH:17]=[O:23])/[CH:11]=[CH:8]/[CH:12]=[C:19]([CH3:2])/[CH:14]=[CH:15]/[C:21]1=[C:20]([CH3:3])[CH2:13][CH2:9][CH2:16][C:22]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

CHEBI:17457
chebi:17457
NGISIFNAHMKVQR-SSRYJDFZSA-N 		14'-apo-beta-carotenal
14'-apo-beta,psi-carotenal
14'-apo-beta-Carotenal
14'-apo-beta-caroten-14'-al
beta-apo-14'-carotenal

kegg.compound:C06734
keggC:C06734
NGISIFNAHMKVQR-SSRYJDFZSA-N 		14'-apo-beta-Carotenal

seed.compound:cpd04121
seedM:cpd04121
NGISIFNAHMKVQR-SSRYJDFZSA-N 		14'-apo-beta-Carotenal
14'-apo-beta-carotenal
5,9-dimethyl-11-[(2,6,6-trimethyl-1-cyclohexenyl)]undeca-2,4,6, 8,10-pentaenal

lipidmaps:LMPR01070297
lipidmapsM:LMPR01070297
NGISIFNAHMKVQR-SSRYJDFZSA-N 		14'-apo-beta-carotenal
14'-apo-beta,psi-carotenal
14'-apo-beta-Carotenal
14'-apo-beta-caroten-14'-al
14'-apo-beta-carotenal
beta-apo-14'-carotenal

metacyc.compound:14-APO-BETA-CAROTENAL
metacycM:14-APO-BETA-CAROTENAL
NGISIFNAHMKVQR-SSRYJDFZSA-N 		14'-apo-beta-carotenal
5,9-dimethyl-11-[(2,6,6-trimethyl-1-cyclohexenyl)]undeca-2,4,6, 8,10-pentaenal

chebi:11324
chebi:19150
chebi:753
keggC:M_C06734
seedM:M_cpd04121 		secondary/obsolete/fantasy identifier