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

Feedback

3,4-dihydroxyphenylacetaldehyde

	Properties	Image
MNX_ID	MNXM1401
reference	chebi:27978
formula	C₈H₈O₃
global charge	0
mol weight	152.149
InChIKey	IADQVXRMSNIUEL-UHFFFAOYSA-N
InChI	InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2
SMILES	O=CCC1=CC=C(O)C(O)=C1

MNX internals

InChI (mnx)	InChI=1/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2
SMILES (mnx)	[CH:1]1=[CH:2][C:7]([OH:10])=[C:8]([OH:11])[CH:5]=[C:6]1[CH2:3][CH:4]=[O:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	12

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27978 chebi:27978 IADQVXRMSNIUEL-UHFFFAOYSA-N	3,4-dihydroxyphenylacetaldehyde (3,4-dihydroxyphenyl)acetaldehyde 2-(3,4-dihydroxyphenyl)ethanal 3,4-Dihydroxyphenylacetaldehyde DOPAL Protocatechuatealdehyde
bigg.metabolite:34dhpac biggM:34dhpac IADQVXRMSNIUEL-UHFFFAOYSA-N	3,4-Dihydroxyphenylacetaldehyde
hmdb:HMDB0003791 IADQVXRMSNIUEL-UHFFFAOYSA-N	3,4-Dihydroxyphenylacetaldehyde 2-(3,4-Dihydroxyphenyl)ethanal 2-(3,4-dihydroxyphenyl)acetaldehyde 3,4-Dihydroxy-benzeneacetaldehyde DHPAA aldehyde DOPAL Protocatechuatealdehyde dopal
vmhM:34dhpac vmhmetabolite:34dhpac IADQVXRMSNIUEL-UHFFFAOYSA-N	3,4-Dihydroxyphenylacetaldehyde 2-(3,4-dihydroxyphenyl)acetaldehyde
kegg.compound:C04043 keggC:C04043 IADQVXRMSNIUEL-UHFFFAOYSA-N	3,4-Dihydroxyphenylacetaldehyde DOPAL Protocatechuatealdehyde
sabiork.compound:7037 sabiorkM:7037 IADQVXRMSNIUEL-UHFFFAOYSA-N	3,4-Dihydroxyphenylacetaldehyde Protocatechuatealdehyde
metacyc.compound:34-DIHYDROXYPHENYLACETALDEHYDE metacycM:34-DIHYDROXYPHENYLACETALDEHYDE IADQVXRMSNIUEL-UHFFFAOYSA-N	3,4-dihydroxyphenylacetaldehyde protocatechuatealdehyde
seed.compound:cpd02500 seedM:cpd02500 IADQVXRMSNIUEL-UHFFFAOYSA-N	Protocatechuatealdehyde 3,4-Dihydroxyphenylacetaldehyde 3,4-dihydroxyphenylacetaldehyde 34dhpac protocatechuatealdehyde
envipath:...605c44f6217f envipathM:...605c44f6217f IADQVXRMSNIUEL-UHFFFAOYSA-N	compound 0056274
hmdb:HMDB0006256 hmdb:HMDB0006778 hmdb:HMDB03791 hmdb:HMDB06256 hmdb:HMDB06778 chebi:1385 chebi:19888 biggM:M_34dhpac keggC:M_C04043 seedM:M_cpd02500 vmhM:M_34dhpac	secondary/obsolete/fantasy identifier