LG6

L-GULURONIC ACID 6-PHOSPHATE

Created:	2002-02-06
Last modified:	2011-06-04

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2 entries where LG6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	4
Bond Count	29
Aromatic Bond Count	0

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Chemical Component Summary
Name	L-GULURONIC ACID 6-PHOSPHATE
Systematic Name (OpenEye OEToolkits)	(2S,3S,4R,5S)-2,3,4,5-tetrahydroxy-6-phosphonooxy-hexanoic acid
Formula	C₆ H₁₃ O₁₀ P
Molecular Weight	276.135
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC(O)C(O)C(O)C(O)C(=O)O
SMILES	CACTVS	3.341	O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(C(C(C(C(=O)O)O)O)O)O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	O[C@@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3+,4-,5-/m0/s1
InChIKey	InChI	1.03	BIRSGZKFKXLSJQ-QTBDOELSSA-N

Drug Info: DrugBank

DrugBank ID	DB01655
Name	L-gulonic acid 6-phosphate
Groups	experimental
Synonyms	L-gulonic acid 6-phosphate 6-O-phosphono-L-gulonic acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
3-keto-L-gulonate-6-phosphate decarboxylase UlaD	MSLPMLQVALDNQTMDSAYETTRLIAEEVDIIEVGTILCVGEGVRAVRDL...	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