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

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all-trans-8'-apo-beta-carotenal

MNXM4424 is deprecated and here replaced by MNXM736197
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM736197
reference	chebi:53154
formula	C₃₀H₄₀O
global charge	0
mol weight	416.649
InChIKey	DFMMVLFMMAQXHZ-DOKBYWHISA-N
InChI	InChI=1S/C30H40O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,23H,12,19,22H2,1-7H3/b9-8+,15-10+,16-11+,21-20+,24-13+,25-14+,26-17+,27-18+
SMILES	CC1=C(/C=C/C(C)=C/C=C/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/C30H40O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,23H,12,19,22H2,1-7H3/b9-8+,15-10+,16-11+,21-20+,24-13+,25-14+,26-17+,27-18+
SMILES (mnx)	[CH3:1][C:24](=[CH:13]\[CH:8]=[CH:9]\[CH:14]=[C:25]([CH3:2])\[CH:16]=[CH:11]\[CH:18]=[C:27](/[CH3:4])[CH:23]=[O:31])/[CH:15]=[CH:10]/[CH:17]=[C:26]([CH3:3])/[CH:20]=[CH:21]/[C:29]1=[C:28]([CH3:5])[CH2:19][CH2:12][CH2:22][C:30]1([CH3:6])[CH3:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:53154 chebi:53154 DFMMVLFMMAQXHZ-DOKBYWHISA-N	all-trans-8'-apo-beta-carotenal 8'-Apo-beta-caroten-8'-al 8'-Apo-beta-carotenal 8'-apo-beta,psi-caroten-8'-al 8'Apo-beta,psi-carotenal Apocarotenal C Orange 16 C.I. Food Orange 6 Food orange 6 all-trans-beta-Apo-8'-carotenal beta-Apo-8'-carotenal (C30) beta-Apocarotenal beta-apo-Carotenal
metacyc.compound:CPD-7206 metacycM:CPD-7206 DFMMVLFMMAQXHZ-DOKBYWHISA-N	8'-apo-beta-carotenal all-trans-8'-apo-beta-carotenal beta-apo-8'-carotenal
kegg.compound:C19728 keggC:C19728 DFMMVLFMMAQXHZ-DOKBYWHISA-N	all-trans-8'-Apo-beta-carotenal 8'-Apo-beta-carotenal
seed.compound:cpd20975 seedM:cpd20975 DFMMVLFMMAQXHZ-DOKBYWHISA-N	all-trans-8'-Apo-beta-carotenal 8'-Apo-beta-carotenal 8'-apo-beta-carotenal all-trans-8'-apo-beta-carotenal beta-apo-8'-carotenal
sabiork.compound:28479 sabiorkM:28479 DFMMVLFMMAQXHZ-DOKBYWHISA-N	all-trans-8'-apo-beta-Carotenal
keggC:M_C19728 seedM:M_cpd20975	secondary/obsolete/fantasy identifier