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shikimate

PropertiesImage
MNX_IDMNXM602 Image of MNXM602
referencechebi:36208
formulaC7H9O5
global charge-1
mol weight173.144
InChIKeyJXOHGGNKMLTUBP-HSUXUTPPSA-M
InChIInChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/p-1/t4-,5-,6-/m1/s1
SMILESO=C([O-])C1=C[C@@H](O)[C@@H](O)[C@H](O)C1
MNX internals
InChI (mnx)InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1 Image of MNXM602
SMILES (mnx)[CH:1]1=[C:3]([C:7](=[O:11])[OH:12])[CH2:2][C@@H:5]([OH:9])[C@H:6]([OH:10])[C@@H:4]1[OH:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)29
in models (compartimentalized) 13
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:36208
chebi:36208
JXOHGGNKMLTUBP-HSUXUTPPSA-M
shikimate
(3R,4S,5R)--3,4,5-trihydroxycyclohex-1-ene-1-carboxylate

sabiork.compound:27314
sabiorkM:27314
JXOHGGNKMLTUBP-HSUXUTPPSA-N
(-)-Shikimate

CHEBI:132329
chebi:132329
JXOHGGNKMLTUBP-UHFFFAOYSA-N
3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid
3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid

bigg.metabolite:skm
biggM:skm
envipath:...7749060cab3d
envipathM:...7749060cab3d
JXOHGGNKMLTUBP-UHFFFAOYSA-M
JXOHGGNKMLTUBP-UHFFFAOYSA-N
Shikimate

seed.compound:cpd00383
seedM:cpd00383
JXOHGGNKMLTUBP-HSUXUTPPSA-M
Shikimate
(3R,4S,5R)--3,4,5-trihydroxycyclohex-1-ene-1-carboxylate
1-cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-
3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid
3,4,5-trihydroxy-1-cyclohexene-1-carboxylate
Shikimic acid
shikimate
shikimic acid
skm

vmhM:skm
vmhmetabolite:skm
JXOHGGNKMLTUBP-HSUXUTPPSA-M
Shikimate
(3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid

sabiork.compound:5117
sabiorkM:5117
kegg.compound:C00493
keggC:C00493
JXOHGGNKMLTUBP-HSUXUTPPSA-M
JXOHGGNKMLTUBP-HSUXUTPPSA-N
Shikimate
3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid
Shikimic acid
hmdb:HMDB0003070
JXOHGGNKMLTUBP-HSUXUTPPSA-N
Shikimic acid
(-)-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid
(-)-Shikimate
(-)-Shikimic acid
(-)-shikimate
(3R,4S,5R)-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid
(3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid
3,4,5-Trihydroxy-1-cyclohexenecarboxylate
3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid
3a,4a,5b-Trihydroxy-1-cyclohexene-1-carboxylate
3a,4a,5b-Trihydroxy-1-cyclohexene-1-carboxylic acid
3alpha,4alpha,5beta-Trihydroxy-1-cyclohexene-1-carboxylate
3alpha,4alpha,5beta-Trihydroxy-1-cyclohexene-1-carboxylic acid
3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylate
3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid
Acid, shikimic
L-Shikimate
L-Shikimic acid
Shikimate
Skikimate
Skikimic acid
[3R-(3a,4a,5b)]-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylate
[3R-(3a,4a,5b)]-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid
[3R-(3alpha,4alpha,5beta)]-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylate
[3R-(3alpha,4alpha,5beta)]-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid
[3R-(3alpha,4alpha,5beta)]-3,4,5-trihydroxy-1-cyclohexene-1-carboxylate
[3R-(3alpha,4alpha,5beta)]-3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid

metacyc.compound:SHIKIMATE
metacycM:SHIKIMATE
JXOHGGNKMLTUBP-HSUXUTPPSA-M
shikimate
(3R,4S,5R)--3,4,5-trihydroxycyclohex-1-ene-1-carboxylate
3,4,5-trihydroxy-1-cyclohexene-1-carboxylate
shikimic acid

reactome:R-ALL-964932
reactomeM:R-ALL-964932
CHEBI:16119
chebi:16119
JXOHGGNKMLTUBP-HSUXUTPPSA-N
shikimic acid
(3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid
3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid
3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid
L-shikimic acid
Shikimate
Shikimic acid
[3R-(3alpha,4alpha,5beta)]-3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid

hmdb:HMDB03070
chebi:15083
chebi:26662
chebi:26663
chebi:26664
chebi:45740
chebi:9133
biggM:M_skm
keggC:M_C00493
seedM:M_cpd00383
vmhM:M_skm
secondary/obsolete/fantasy identifier