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

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gingerol

MNXM6950 is deprecated and here replaced by MNXM739500
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM739500
reference	chebi:10136
formula	C₁₇H₂₆O₄
global charge	0
mol weight	294.391
InChIKey	NLDDIKRKFXEWBK-AWEZNQCLSA-N
InChI	InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1
SMILES	CCCCC[C@H](O)CC(=O)CCC1=CC=C(O)C(OC)=C1

MNX internals

InChI (mnx)	InChI=1/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][C@@H:14]([CH2:12][C:15]([CH2:9][CH2:7][C:13]1=[CH:11][C:17]([O:21][CH3:2])=[C:16]([OH:20])[CH:10]=[CH:8]1)=[O:19])[OH:18]

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:10136 chebi:10136 NLDDIKRKFXEWBK-AWEZNQCLSA-N	gingerol (+)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one (S)-(+)-[6]Gingerol (S)-(6)-Gingerol 6-Gingerol [6]-Gingerol
metacyc.compound:CPD-13494 metacycM:CPD-13494 NLDDIKRKFXEWBK-AWEZNQCLSA-N	6-gingerol
hmdb:HMDB0005783 NLDDIKRKFXEWBK-AWEZNQCLSA-N	Gingerol (6)-Gingerol 10-Gingerol 5-Hydroxy-1-(4-hydroxy-3-methoxtphenyl)-3-decanone 5-Hydroxy-1-(4-hydroxy-3-methoxycyclohexyl)decan-3-one 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one 6-Gingerol 6g [6]-Gingerol [6]-Gingerol gingerol
kegg.compound:C10462 keggC:C10462 NLDDIKRKFXEWBK-AWEZNQCLSA-N	[6]-Gingerol (S)-(+)-[6]Gingerol 6-Gingerol
seed.compound:cpd07348 seedM:cpd07348 NLDDIKRKFXEWBK-AWEZNQCLSA-N	[6]-Gingerol (S)-(+)-[6]Gingerol 6-Gingerol 6-gingerol
lipidmaps:LMPK15020007 lipidmapsM:LMPK15020007 NLDDIKRKFXEWBK-AWEZNQCLSA-N	[6]-Gingerol 5S-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one Gingerol
hmdb:HMDB05783 keggC:M_C10462 seedM:M_cpd07348	secondary/obsolete/fantasy identifier