52L

DAHP Oxime

Created:	2015-07-16
Last modified:	2020-06-05

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4 entries where 52L is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	3
Bond Count	32
Aromatic Bond Count	0

2D diagram of 52L

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Chemical Component Summary
Name	DAHP Oxime
Synonyms	(2E,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxyimino)-7-(phosphonooxy)heptanoic acid
Systematic Name (OpenEye OEToolkits)	(2E,4R,5S,6R)-2-hydroxyimino-4,5,6-tris(oxidanyl)-7-phosphonooxy-heptanoic acid
Formula	C₇ H₁₄ N O₁₀ P
Molecular Weight	303.161
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(/O)=C(\C(O)=O)CC(C(O)C(COP(O)(O)=O)O)O
SMILES	CACTVS	3.385	ON=C(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.9.2	C(C(C(C(COP(=O)(O)O)O)O)O)C(=NO)C(=O)O
Canonical SMILES	CACTVS	3.385	O/N=C(C[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)/C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)/C(=N\O)/C(=O)O
InChI	InChI	1.03	InChI=1S/C7H14NO10P/c9-4(1-3(8-14)7(12)13)6(11)5(10)2-18-19(15,16)17/h4-6,9-11,14H,1-2H2,(H,12,13)(H2,15,16,17)/b8-3+/t4-,5-,6+/m1/s1
InChIKey	InChI	1.03	KFGHSGKOOHKNEU-WVMCLEPLSA-N

Related Resource References

Resource Name	Reference
PubChem	121488084

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.