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terephthalate

PropertiesImage
MNX_IDMNXM2734 Image of MNXM2734
referencechebi:30043
formulaC8H4O4
global charge-2
mol weight164.116
InChIKeyKKEYFWRCBNTPAC-UHFFFAOYSA-L
InChIInChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2
SMILESO=C([O-])C1=CC=C(C(=O)[O-])C=C1
MNX internals
InChI (mnx)InChI=1/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12) Image of MNXM2734
SMILES (mnx)[CH:1]1=[CH:2][C:6]([C:8]([OH:11])=[O:12])=[CH:4][CH:3]=[C:5]1[C:7]([OH:9])=[O:10]
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
IdentifierDescription

CHEBI:30043
chebi:30043
KKEYFWRCBNTPAC-UHFFFAOYSA-L
terephthalate
1,4-benzenedicarboxylate
1,4-benzenedicarboxylic acid, ion(2-)
benzene-1,4-dicarboxylate
terephthalate(2-)

vmhM:14bdc
vmhmetabolite:14bdc
KKEYFWRCBNTPAC-UHFFFAOYSA-N
1,4-Benzenedicarboxylic acid
benzene-1,4-dicarboxylic acid

envipath:...76efe66b1be1
envipathM:...76efe66b1be1
KKEYFWRCBNTPAC-UHFFFAOYSA-L
Terephthalate

seed.compound:cpd03778
seedM:cpd03778
KKEYFWRCBNTPAC-UHFFFAOYSA-L
Terephthalate
1,4-Benzenedicarboxylic acid
1,4-bezenedicarboxylic acid
1,4-dicarboxybenzene
Terephthalic acid
p-phthalic acid
terephthalate
terephthalic acid

sabiork.compound:8555
sabiorkM:8555
KKEYFWRCBNTPAC-UHFFFAOYSA-L
Terephthalate
1,4-Benzenedicarboxylic acid
Benzene 1,4-dicarboxylate
Terephthalic acid

kegg.compound:C06337
keggC:C06337
KKEYFWRCBNTPAC-UHFFFAOYSA-N
Terephthalate
1,4-Benzenedicarboxylic acid
Terephthalic acid
hmdb:HMDB0002428
KKEYFWRCBNTPAC-UHFFFAOYSA-N
Terephthalic acid
1,4-Benzenedicarboxylate
1,4-Benzenedicarboxylic acid
Benzene-P-dicarboxylate
Benzene-P-dicarboxylic acid
Disodium terephthalate
Kyselina terftalova
P-Dicarboxybenzene
P-Phthalate
P-Phthalic acid
P-Phthelate
P-Phthelic acid
Para-benzenedicarboxylate
Para-benzenedicarboxylic acid
TPA
Terephthalate
benzene-1,4-dicarboxylic acid
p-Benzenedicarboxylate
p-Benzenedicarboxylic acid
terephthalic acid

envipath:...8f71620776ea
envipathM:...8f71620776ea
envipath:...73a3238f412c
envipathM:...73a3238f412c
KKEYFWRCBNTPAC-UHFFFAOYSA-N
compound 0058447

CHEBI:30801
chebi:30801
KKEYFWRCBNTPAC-UHFFFAOYSA-M
terephthalate(1-)
4-carboxybenzoate
hydrogen terephthalate

metacyc.compound:TEREPHTHALATE
metacycM:TEREPHTHALATE
KKEYFWRCBNTPAC-UHFFFAOYSA-L
terephthalate
1,4-bezenedicarboxylic acid
1,4-dicarboxybenzene
TPA
p-phthalic acid
terephthalic acid

envipath:...bec2875118c7
envipathM:...bec2875118c7
envipath:...a3e7e4cc8fcc
envipathM:...a3e7e4cc8fcc
KKEYFWRCBNTPAC-UHFFFAOYSA-N
terephthalic acid

CHEBI:15702
chebi:15702
KKEYFWRCBNTPAC-UHFFFAOYSA-N
terephthalic acid
1,4-Benzenedicarboxylic acid
TPA
Terephthalic acid
benzene-1,4-dicarboxylic acid
p-benzenedicarboxylic acid
para-benzenedicarboxylic acid

hmdb:HMDB0061917
hmdb:HMDB02428
hmdb:HMDB61917
chebi:15211
chebi:26868
chebi:26870
chebi:9452
keggC:M_C06337
seedM:M_cpd03778
vmhM:M_14bdc
secondary/obsolete/fantasy identifier