KDO

3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid

Created:	1999-07-08
Last modified:	2020-07-17

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22 entries where KDO is found as a standalone ligand1 entries where KDO is covalently linked to polymer or other heterogen groups 44 entries where KDO is found in a branched oligosaccharide

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	5
Bond Count	30
Aromatic Bond Count	0

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Chemical Component Summary
Name	3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid
Synonyms	3-deoxy-d-manno-oct-2-ulopyranosonic acid; 2-keto-3-deoxy-D-mannooctanoic acid; 3-deoxy-alpha-D-manno-oct-2-ulosonic acid; 3-deoxy-D-manno-oct-2-ulosonic acid; 3-deoxy-manno-oct-2-ulosonic acid
Systematic Name (OpenEye OEToolkits)	(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,4,5-trihydroxy-oxane-2-carboxylic acid
Formula	C₈ H₁₄ O₈
Molecular Weight	238.192
Type	D-SACCHARIDE, ALPHA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C1(O)OC(C(O)CO)C(O)C(O)C1
SMILES	CACTVS	3.341	OC[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C1C(C(C(OC1(C(=O)O)O)C(CO)O)O)O
Canonical SMILES	CACTVS	3.341	OC[C@@H](O)[C@H]1O[C@](O)(C[C@@H](O)[C@H]1O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O
InChI	InChI	1.03	InChI=1S/C8H14O8/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h3-6,9-12,15H,1-2H2,(H,13,14)/t3-,4-,5-,6-,8-/m1/s1
InChIKey	InChI	1.03	NNLZBVFSCVTSLA-HXUQBWEZSA-N

Drug Info: DrugBank

DrugBank ID	DB03548
Name	3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid
Groups	experimental
Synonyms	α-2-keto-3-deoxyoctulosonic acid pyranose 3-deoxy-α-D-manno-oct-2-ulopyranosonic acid α-KDop 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid α-Kdo

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Ferrichrome-iron receptor	MARSKTAQPKHSLRKIAVVVATAVSGMSVYAQAAVEPKEDTITVTAAPAP...	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