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3,8-dideoxy-8-oxo-alpha-D-manno-octulosonate

PropertiesImage
MNX_IDMNXM146078 Image of MNXM146078
referencechebi:87090
formulaC8H11O8
global charge-1
mol weight235.168
InChIKeyRSSDMTJWCNYGHQ-HXUQBWEZSA-M
InChIInChI=1S/C8H12O8/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h2-6,10-12,15H,1H2,(H,13,14)/p-1/t3-,4-,5-,6-,8-/m1/s1
SMILESO=C[C@@H](O)[C@H]1O[C@@](O)(C(=O)[O-])C[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C8H12O8/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h2-6,10-12,15H,1H2,(H,13,14)/t3-,4-,5-,6-,8-/m1/s1 Image of MNXM146078
SMILES (mnx)[CH2:1]1[C@@H:3]([OH:10])[C@@H:5]([OH:12])[C@@H:6]([C@@H:4]([CH:2]=[O:9])[OH:11])[O:16][C@:8]1([C:7](=[O:13])[OH:14])[OH:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87090
chebi:87090
RSSDMTJWCNYGHQ-HXUQBWEZSA-M 		3,8-dideoxy-8-oxo-alpha-D-manno-octulosonate
(2R,4R,5R,6S)-2,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-oxoethyl]oxane-2-carboxylate
(7R)-6-deoxy-D-manno-oct-7-ulopyranosuronate
(7R)-6-deoxy-D-manno-oct-7-ulosuronate
3-deoxy-alpha-D-oct-2,8-diulopyranosonate

seed.compound:cpd32584
seedM:cpd32584
RSSDMTJWCNYGHQ-HXUQBWEZSA-M 		(2R,4R,5R,6S)-2,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-oxoethyl]oxane-2-carboxylate
3,8-dideoxy-8-oxo-alpha-D-manno-octulosonate

CHEBI:87306
chebi:87306
RSSDMTJWCNYGHQ-HXUQBWEZSA-N 		(7R)-6-deoxy-D-manno-oct-7-ulosuronic acid
(7R)-6-deoxy-D-manno-oct-7-ulopyranosuronic acid

metacyc.compound:CPD-18064
metacycM:CPD-18064
RSSDMTJWCNYGHQ-HXUQBWEZSA-M 		3,8-dideoxy-8-oxo-alpha-D-manno-octulosonate
(2R,4R,5R,6S)-2,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-oxoethyl]oxane-2-carboxylate

CHEBI:190256
chebi:190256
RSSDMTJWCNYGHQ-XMABDTGBSA-N 		8-Dehydro-3-deoxy-D-manno-octulosonate
(4R,5R,6S)-2,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-oxoethyl]oxane-2-carboxylic acid

kegg.compound:C21332
keggC:C21332
RSSDMTJWCNYGHQ-XMABDTGBSA-N 		8-Dehydro-3-deoxy-D-manno-octulosonate
3,8-Dideoxy-8-oxo-D-manno-octulosonate

keggC:M_C21332
seedM:M_cpd32584 		secondary/obsolete/fantasy identifier