Met005672: Diketogulonic acid
Metabolite Information
Name
Diketogulonic acid
IUPAC Name
(4R,5S)-4,5,6-trihydroxy-2,3-dioxohexanoic acid
Molecular Formula
C6H8O7
Molecular Weight
192.12
Exact Mass
192.0270026
SMILES
C(C(C(C(=O)C(=O)C(=O)O)O)O)O
InChIKey
GJQWCDSAOUMKSE-STHAYSLISA-N
InChI
InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3+/m0/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic oxygen compounds
Class:
Organooxygen compounds
Subclass:
Carbohydrates and carbohydrate conjugates
Crops containing this metabolite
adzuki_bean
asparagus
avocado
banana
bittermelon
blueberry
broad_bean
broccoli
cabbage
carrot
cauliflower
chestnut
chickpea
citrus
cowpea
eggplant
fig
garlic
ginger
grape
kidney_bean
kiwifruit
lemon
lentil
lettuce
loquat
mango
mung_bean
muskmelon
okra
onion
papaya
parsley
pea
peach
peanut
pear
perilla
pineapple
potato
spinach
taro
tomato
turnip
watermelon
yam
asparagus
avocado
banana
bittermelon
blueberry
broad_bean
broccoli
cabbage
carrot
cauliflower
chestnut
chickpea
citrus
cowpea
eggplant
fig
garlic
ginger
grape
kidney_bean
kiwifruit
lemon
lentil
lettuce
loquat
mango
mung_bean
muskmelon
okra
onion
papaya
parsley
pea
peach
peanut
pear
perilla
pineapple
potato
spinach
taro
tomato
turnip
watermelon
yam
Metabolite Spectrum Accession Label
ADZ00200n
ADZ00345n
ASP00058n
ASP00410n
AVO00199n
AVO00269n
AVO00676n
BAN00114n
BAN00200p
BAN00321n
BAN00590n
BIT00382n
BLU00057n
BLU00360p
BLU00406n
BROB00251n
BROB00746n
BROC00161n
CAB00088n
CAB00376n
CAR00194n
CAR00422n
CAU00197n
CAU00407n
CHE00370n
CHE00533n
CHI00104n
CHI00743n
CIT00518n
CIT00791n
COW00488n
COW00561n
EGG00285n
EGG00379n
FIG00521n
FIG00564n
GAR00039n
GAR00400n
GIN01000n
GIN01540n
GRA00126n
GRA00329n
KID00003n
KID00607n
KIW00355n
KIW00460p
KIW00469n
KIW00488p
KIW00567p
LEM00115n
LEM00139p
LEM01010n
LEN00670n
LEN00796n
LET00239n
LET00332n
LOQ00113n
MAN00153n
MAN00507n
MUN00116n
MUN00367n
MUS00009n
MUS00295n
OKR00386n
OKR00733n
ONI00244n
PAP00102p
PAP00268n
PAP00364n
PAR00807p
PAR00983n
PAR01246p
PEACH00262p
PEACH00289n
PEACH00530n
PEA00178n
PEA00261n
PEAN00640n
PEAR00154n
PEAR00177n
PEAR00231p
PER00551n
PER01637n
PIN00302p
PIN00427n
POT00235n
POT00531n
SPI00047n
SPI00643n
SPI00744n
TAR00009p
TAR00063p
TAR00175p
TOM00077n
TOM00109p
TOM00420p
TUR00056n
TUR00468n
WAT00349n
WAT00422n
YAM00145p
YAM00316n
YAM00403n
YAM00411p
ADZ00345n
ASP00058n
ASP00410n
AVO00199n
AVO00269n
AVO00676n
BAN00114n
BAN00200p
BAN00321n
BAN00590n
BIT00382n
BLU00057n
BLU00360p
BLU00406n
BROB00251n
BROB00746n
BROC00161n
CAB00088n
CAB00376n
CAR00194n
CAR00422n
CAU00197n
CAU00407n
CHE00370n
CHE00533n
CHI00104n
CHI00743n
CIT00518n
CIT00791n
COW00488n
COW00561n
EGG00285n
EGG00379n
FIG00521n
FIG00564n
GAR00039n
GAR00400n
GIN01000n
GIN01540n
GRA00126n
GRA00329n
KID00003n
KID00607n
KIW00355n
KIW00460p
KIW00469n
KIW00488p
KIW00567p
LEM00115n
LEM00139p
LEM01010n
LEN00670n
LEN00796n
LET00239n
LET00332n
LOQ00113n
MAN00153n
MAN00507n
MUN00116n
MUN00367n
MUS00009n
MUS00295n
OKR00386n
OKR00733n
ONI00244n
PAP00102p
PAP00268n
PAP00364n
PAR00807p
PAR00983n
PAR01246p
PEACH00262p
PEACH00289n
PEACH00530n
PEA00178n
PEA00261n
PEAN00640n
PEAR00154n
PEAR00177n
PEAR00231p
PER00551n
PER01637n
PIN00302p
PIN00427n
POT00235n
POT00531n
SPI00047n
SPI00643n
SPI00744n
TAR00009p
TAR00063p
TAR00175p
TOM00077n
TOM00109p
TOM00420p
TUR00056n
TUR00468n
WAT00349n
WAT00422n
YAM00145p
YAM00316n
YAM00403n
YAM00411p