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

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8'-apo-beta-carotenol

MNXM3886 is deprecated and here replaced by MNXM735241
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM735241
reference	chebi:18092
formula	C₃₀H₄₂O
global charge	0
mol weight	418.665
InChIKey	YKSARTKNUYWHKA-DOKBYWHISA-N
InChI	InChI=1S/C30H42O/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/h8-11,13-18,20-21,31H,12,19,22-23H2,1-7H3/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)CO)C(C)(C)CCC1

MNX internals

InChI (mnx)	InChI=1/C30H42O/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/h8-11,13-18,20-21,31H,12,19,22-23H2,1-7H3/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])[CH2:23][OH: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)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18092 chebi:18092 YKSARTKNUYWHKA-DOKBYWHISA-N	8'-apo-beta-carotenol 8'-apo-beta-Carotenol 8'-apo-beta-caroten-8'-ol
sabiork.compound:8877 sabiorkM:8877 kegg.compound:C06733 keggC:C06733 YKSARTKNUYWHKA-DOKBYWHISA-N	8'-apo-beta-Carotenol
seed.compound:cpd04120 seedM:cpd04120 YKSARTKNUYWHKA-DOKBYWHISA-N	8'-apo-beta-Carotenol 2,6,11,15-tetramethyl-17-[(2,6,6-trimethyl-1-cyclohexenyl)] heptadeca-2,4,6,8,10,12,14,16-octaen-1-ol 8'-apo-beta-carotenol
metacyc.compound:8-APO-BETA-CAROTENOL metacycM:8-APO-BETA-CAROTENOL YKSARTKNUYWHKA-DOKBYWHISA-N	8'-apo-beta-carotenol 2,6,11,15-tetramethyl-17-[(2,6,6-trimethyl-1-cyclohexenyl)] heptadeca-2,4,6,8,10,12,14,16-octaen-1-ol
lipidmaps:LMPR01070298 lipidmapsM:LMPR01070298 YKSARTKNUYWHKA-DOKBYWHISA-N	8'-apo-beta-carotenol 8'-apo-beta-Carotenol 8'-apo-beta-caroten-8'-ol 8'-apo-beta-carotenol
chebi:12264 chebi:20804 chebi:2298 keggC:M_C06733 seedM:M_cpd04120	secondary/obsolete/fantasy identifier