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

Feedback

4-hydroxy-6-methylpretetramide

	Properties	Image
MNX_ID	MNXM5001
reference	chebi:28464
formula	C₂₀H₁₅NO₇
global charge	0
mol weight	381.34
InChIKey	WSYJHDYOVBGOSR-UHFFFAOYSA-N
InChI	InChI=1S/C20H15NO7/c1-6-7-3-2-4-10(22)11(7)16(24)12-8(6)5-9-13(17(12)25)18(26)14(20(21)28)19(27)15(9)23/h2-5,22-27H,1H3,(H2,21,28)
SMILES	CC1=C2C=CC=C(O)C2=C(O)C2=C(O)C3=C(O)C(C(N)=O)=C(O)C(O)=C3C=C12

MNX internals

InChI (mnx)	InChI=1/C20H15NO7/c1-6-7-3-2-4-10(22)11(7)16(24)12-8(6)5-9-13(17(12)25)18(26)14(20(21)28)19(27)15(9)23/h2-5,22-27H,1H3,(H2,21,28)
SMILES (mnx)	[CH3:1][C:6]1=[C:7]2[CH:3]=[CH:2][CH:4]=[C:10]([OH:22])[C:11]2=[C:16]([OH:24])[C:12]2=[C:17]([OH:25])[C:13]3=[C:9]([CH:5]=[C:8]12)[C:15]([OH:23])=[C:19]([OH:27])[C:14]([C:20](=[NH:21])[OH:28])=[C:18]3[OH:26]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-19274 metacycM:CPD-19274 CHEBI:28464 chebi:28464 WSYJHDYOVBGOSR-UHFFFAOYSA-M WSYJHDYOVBGOSR-UHFFFAOYSA-N	4-hydroxy-6-methylpretetramide 1,3,4,10,11,12-hexahydroxy-6-methyltetracene-2-carboxamide
kegg.compound:C06628 keggC:C06628 WSYJHDYOVBGOSR-UHFFFAOYSA-N	4-Hydroxy-6-methylpretetramide 1,3,4,10,11,12-Hexahydroxy-6-methyltetracene-2-carboxamide
seed.compound:cpd04032 seedM:cpd04032 WSYJHDYOVBGOSR-UHFFFAOYSA-N	4-Hydroxy-6-methylpretetramide 1,3,4,10,11,12-hexahydroxy-6-methyltetracene-2-carboxamide 4-hydroxy-6-methylpretetramide
CHEBI:132735 chebi:132735 WSYJHDYOVBGOSR-UHFFFAOYSA-M	4-hydroxy-6-methylpretetramide(1-) 2-carbamoyl-3,4,10,11,12-pentahydroxy-6-methyltetracen-1-olate 4-hydroxy-6-methylpretetramid(1-)
chebi:1849 chebi:20385 keggC:M_C06628 seedM:M_cpd04032	secondary/obsolete/fantasy identifier