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

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terephthalate

	Properties	Image
MNX_ID	MNXM2734
reference	chebi:30043
formula	C₈H₄O₄
global charge	-2
mol weight	164.116
InChIKey	KKEYFWRCBNTPAC-UHFFFAOYSA-L
InChI	InChI=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
SMILES	O=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)
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
Identifier	Description
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