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

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Pseudoecgonine

MNXM91187 is deprecated and here replaced by MNXM1106115
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1106115
reference	chebi:32072
formula	C₉H₁₅NO₃
global charge	0
mol weight	185.223
InChIKey	PHMBVCPLDPDESM-GHNGIAPOSA-N
InChI	InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5?,6?,7-,8-/m0/s1
SMILES	CN1C2CCC1[C@H](C(=O)O)[C@@H](O)C2

MNX internals

InChI (mnx)	InChI=1/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5?,6?,7-,8-/m0/s1
SMILES (mnx)	[CH3:1][N:10]1[CH:5]2[CH2:2][CH2:3][CH:6]1[C@H:8]([C:9](=[O:12])[OH:13])[C@@H:7]([OH:11])[CH2:4]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:pecgon biggM:pecgon seed.compound:cpd09200 seedM:cpd09200 CHEBI:32072 chebi:32072 kegg.compound:C12449 keggC:C12449 PHMBVCPLDPDESM-GHNGIAPOSA-M PHMBVCPLDPDESM-GHNGIAPOSA-N	Pseudoecgonine
hmdb:HMDB0006348 PHMBVCPLDPDESM-GHNGIAPOSA-N	Pseudoecgonine (+)-Pseudoecgonine (2S,3S)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate (2S,3S)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid (2S,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid D-Pseudoecgonine D-Psi-ecgonine delta-Pseudoecgonine delta-Psi-ecgonine pseudo-Ecgonine pseudoecgonine
vmhM:pecgon vmhmetabolite:pecgon PHMBVCPLDPDESM-GHNGIAPOSA-M	pseudoecgonine (2S,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
hmdb:HMDB06348 biggM:M_pecgon keggC:M_C12449 seedM:M_cpd09200 vmhM:M_pecgon	secondary/obsolete/fantasy identifier