PRD_900001

alpha-maltose

Created:	2020-05-08
Last modified:	2020-07-29

PRD_900001 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1MPD.

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421 entries where PRD_900001 is present

Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	10
Bond Count	46
Aromatic Bond Count	0

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Chemical Component Summary
Name	alpha-maltose
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-4,5,6-tris(oxida nyl)oxan-3-yl]oxy-oxane-3,4,5-triol
Formula	C₁₂ H₂₂ O₁₁
Molecular Weight	342.296
Type	SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C2(OC1C(C(C(O)OC1CO)O)O)C(O)C(O)C(O)C(CO)O2
SMILES	CACTVS	3.385	OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	2.0.7	C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
Canonical SMILES	CACTVS	3.385	OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O
InChI	InChI	1.03	InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9- ,10-,11+,12-/m1/s1
InChIKey	InChI	1.03	GUBGYTABKSRVRQ-ASMJPISFSA-N

Related Resource References

Resource Name	Reference
PubChem	439341
ChEBI	CHEBI:18167

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