HHG

(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATE

Created:	2005-01-05
Last modified:	2020-06-05

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2 entries where HHG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	1
Bond Count	35
Aromatic Bond Count	0

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Chemical Component Summary
Name	(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATE
Synonyms	1-MONOHEXANOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2S)-2-hydroxy-3-phosphonooxy-propyl] hexanoate
Formula	C₉ H₁₉ O₇ P
Molecular Weight	270.217
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC(O)COC(=O)CCCCC
SMILES	CACTVS	3.341	CCCCCC(=O)OC[CH](O)CO[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCC(=O)OCC(COP(=O)(O)O)O
Canonical SMILES	CACTVS	3.341	CCCCCC(=O)OC[C@H](O)CO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCC(=O)OC[C@@H](COP(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C9H19O7P/c1-2-3-4-5-9(11)15-6-8(10)7-16-17(12,13)14/h8,10H,2-7H2,1H3,(H2,12,13,14)/t8-/m0/s1
InChIKey	InChI	1.03	FIMVTNBZKNVWDN-QMMMGPOBSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB04199
Name	1-Monohexanoyl-2-Hydroxy-Sn-Glycero-3-Phosphate
Groups	experimental
Synonyms	1-Monohexanoyl-2-Hydroxy-Sn-Glycero-3-Phosphate

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action
Lipoprotein MxiM	MIRHGSNKLKIFILSILLLTLSGCALKSSSNSEKEWHIVPVSKDYFSIPN...	unknown
GrlR	MIMKDGIYSIIFISNEDSCGEGILIKNGNMITGGDIASVYQGVLSEDEDI...	unknown
Lipoprotein MxiM	MIRHGSNKLKIFILSILLLTLSGCALKSSSNSEKEWHIVPVSKDYFSIPN...	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