PML

PIMELIC ACID

Created:	2001-12-03
Last modified:	2011-06-04

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6 entries where PML is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	0

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Chemical Component Summary
Name	PIMELIC ACID
Systematic Name (OpenEye OEToolkits)	heptanedioic acid
Formula	C₇ H₁₂ O₄
Molecular Weight	160.168
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCCCCC(=O)O
SMILES	CACTVS	3.341	OC(=O)CCCCCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(CCC(=O)O)CCC(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)CCCCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CCC(=O)O)CCC(=O)O
InChI	InChI	1.03	InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)
InChIKey	InChI	1.03	WLJVNTCWHIRURA-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB01856
Name	Pimelic Acid
Groups	experimental
Description	A group of compounds that are derivatives of heptanedioic acid with the general formula R-C7H11O4. [PubChem]
Synonyms	Pimelic Acid
Categories	Acids, Acyclic Dicarboxylic Acids
CAS number	111-16-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase	MQQLQNVIESAFERRADITPANVDTVTREAVNQVIGLLDSGALRVAEKID...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource Name	Reference
PubChem	385
ChEMBL	CHEMBL1235351
ChEBI	CHEBI:30531
CCDC/CSD	NUKYUO, MOVYOO, KEBQIT, UFEWAG, PIMELA14, MOVYOO01, FADHAV, HOFYOT, PIMELA13, PIMELA07, PIMELA12, PIMELA15, GUDVIM, VISWAX, PIMELA11, EVETAB, PIMELA10, WEDLAU, PIMELA09, XOLHUC, PIMELA06, PIMELA04, KEFBON, PIMELA08, NUKYUO01, UNEFUO, ISIJEA, KECMAJ, KAYFUN, VAGYEJ, TACCEH, UHAFAL, KAYHUP, HIQSAD, PIMELA05, QEQZES, GESCAK, GUDVEI, TACDAE01, NUKYUO02, PIMELA03, SEVJAH, TACDAE02, TACDAE, NUKYUO03, DOSQAF, PIMELA16
COD	7200292, 7212463, 4508015, 4508016, 4508017, 4508018, 7208518, 4508019, 4504643, 4508020, 7214947, 7205993, 4116153, 7214948, 4508142