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(E)-2-(methoxycarbonylmethyl)but-2-enedioate

MNXM14578 is deprecated and here replaced by MNXM1368170
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368170 Image of MNXM1368170
referencechebi:57469
formulaC7H6O6
global charge-2
mol weight186.119
InChIKeyMRNZYUAGJLJQAM-DUXPYHPUSA-L
InChIInChI=1S/C7H8O6/c1-13-6(10)3-4(7(11)12)2-5(8)9/h2H,3H2,1H3,(H,8,9)(H,11,12)/p-2/b4-2+
SMILESCOC(=O)C/C(=C\C(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C7H8O6/c1-13-6(10)3-4(7(11)12)2-5(8)9/h2H,3H2,1H3,(H,8,9)(H,11,12)/b4-2+ Image of MNXM1368170
SMILES (mnx)[CH3:1][O:13][C:6]([CH2:3]/[C:4](=[CH:2]\[C:5](=[O:8])[OH:9])[C:7](=[O:11])[OH:12])=[O:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57469
chebi:57469
MRNZYUAGJLJQAM-DUXPYHPUSA-L 		(E)-2-(methoxycarbonylmethyl)but-2-enedioate
(2E)-2-(2-methoxy-2-oxoethyl)but-2-enedioate
(2E)-2-(methoxycarbonylmethyl)but-2-enedioate dianion
(2E)-2-(methoxycarbonylmethyl)but-2-enedioate(2-)

CHEBI:15661
chebi:15661
MRNZYUAGJLJQAM-DUXPYHPUSA-N 		(2E)-2-(methoxycarbonylmethyl)but-2-enedioic acid
(2E)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid
(E)-2-(Methoxycarbonylmethyl)butenedioate

lipidmaps:LMFA01020393
lipidmapsM:LMFA01020393
MRNZYUAGJLJQAM-DUXPYHPUSA-N 		(2E)-2-(methoxycarbonylmethyl)but-2-enedioic acid
(2E)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid
FA 7:3
O4

sabiork.compound:13580
sabiorkM:13580
MRNZYUAGJLJQAM-DUXPYHPUSA-N 		(E)-2-(Methoxycarbonylmethyl)butenedioate

kegg.compound:C11515
keggC:C11515
MRNZYUAGJLJQAM-DUXPYHPUSA-N 		(E)-2-(Methoxycarbonylmethyl)butenedioate
(2E)-2-(Methoxycarbonylmethyl)but-2-enedioic acid

seed.compound:cpd08354
seedM:cpd08354
MRNZYUAGJLJQAM-DUXPYHPUSA-L 		(E)-2-(Methoxycarbonylmethyl)butenedioate
(E)-2-(methoxycarbonylmethyl)butenedioate

metacyc.compound:E-2-METHOXYCARBONYLMETHYLBUTENEDIOAT
metacycM:E-2-METHOXYCARBONYLMETHYLBUTENEDIOAT
MRNZYUAGJLJQAM-DUXPYHPUSA-L 		(E)-2-(methoxycarbonylmethyl)butenedioate

bigg.metabolite:3ipmmest
biggM:3ipmmest 		3 isopropylmalate methyl ester

chebi:10947
chebi:275
biggM:M_3ipmmest
keggC:M_C11515
seedM:M_cpd08354 		secondary/obsolete/fantasy identifier