(R)-pantoate (CHEBI:15980)

ChEBI > Main

CHEBI:15980 - (R)-pantoate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	(R)-pantoate

ChEBI ID	CHEBI:15980

ChEBI ASCII Name	(R)-pantoate

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:11006, CHEBI:44662, CHEBI:18695, CHEBI:18696, CHEBI:350

Supplier Information	ChemicalBook:CB8197940, ChemicalBook:CB0197939, eMolecules:593675, ZINC000000049154

Download	Molfile XML SDF

more structures >>

call loadScript javascripts\jsmol\core\package.js

call loadScript javascripts\jsmol\core\core.z.js -- required by ClazzNode

call loadScript javascripts\jsmol\J\awtjs2d\WebOutputChannel.js

Jmol JavaScript applet jmolApplet0_object__6703226602059016__ initializing

getValue debug = null

getValue logLevel = null

getValue allowjavascript = null

AppletRegistry.checkIn(jmolApplet0_object__6703226602059016__)

call loadScript javascripts\jsmol\core\corestate.z.js

viewerOptions:

{ "name":"jmolApplet0_object","applet":true,"documentBase":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15980","platform":"J.awtjs2d.Platform","fullName":"jmolApplet0_object__6703226602059016__","display":"jmolApplet0_canvas2d","signedApplet":"true","appletReadyCallback":"Jmol._readyCallback","statusListener":"[J.appletjs.Jmol.MyStatusListener object]","codeBase":"https://www.ebi.ac.uk/chebi/javascripts/jsmol/","syncId":"6703226602059016","bgcolor":"#000" }

Jmol Version: 13.2.7 $Date: 2013-10-01 11:35:15 -0500 (Tue, 01 Oct 2013) $

java.vendor: j2s

java.version: 0.0

os.name: j2s

Access: ALL

memory: 0.0/0.0

processors available: 1

useCommandThread: false

appletId:jmolApplet0_object (signed)

starting HoverWatcher_1

getValue emulate = null

defaults = "Jmol"

getValue boxbgcolor = null

getValue bgcolor = #000

backgroundColor = "#000"

getValue ANIMFRAMECallback = null

getValue APPLETREADYCallback = Jmol._readyCallback

APPLETREADYCallback = "Jmol._readyCallback"

getValue ATOMMOVEDCallback = null

getValue CLICKCallback = null

getValue ECHOCallback = null

getValue ERRORCallback = null

getValue EVALCallback = null

getValue HOVERCallback = null

getValue LOADSTRUCTCallback = null

getValue MEASURECallback = null

getValue MESSAGECallback = null

getValue MINIMIZATIONCallback = null

getValue PICKCallback = null

getValue RESIZECallback = null

getValue SCRIPTCallback = null

getValue SYNCCallback = null

getValue STRUCTUREMODIFIEDCallback = null

getValue doTranslate = null

language=en_US

getValue popupMenu = null

getValue script = null

Jmol applet jmolApplet0_object__6703226602059016__ ready

call loadScript javascripts\jsmol\core\corescript.z.js

call loadScript javascripts\jsmol\J\script\FileLoadThread.js

starting QueueThread0_2

script 1 started

starting HoverWatcher_3

starting HoverWatcher_4

The Resolver thinks Mol

Marvin 09130720283D

starting HoverWatcher_5

Time for openFile(

Marvin 09130720283D

21 20 0 0 0 0 999 V2000

2.5730 -0.4740 -0.5120 O 0 5 0 0 0 0 0 0 0 0 0 0

1.7720 0.1960 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0

1.9840 1.3820 0.3080 O 0 0 0 0 0 0 0 0 0 0 0 0

0.5200 -0.4420 0.6620 C 0 0 2 0 0 0 0 0 0 0 0 0

0.5550 -1.8490 0.4130 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.7040 0.1670 -0.0250 C 0 0 2 0 0 0 0 0 0 0 0 0

-0.6180 -0.0810 -1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.7410 1.6730 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.9750 -0.4810 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0

-3.1170 0.0890 -0.1150 O 0 0 0 0 0 0 0 0 0 0 0 0

0.6080 -1.9620 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0

0.4590 -0.2650 1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0

0.2880 0.3800 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.5910 -1.1540 -1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.4900 0.3530 -2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.6130 2.1080 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.8020 1.8500 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0

0.1650 2.1350 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.9480 -1.5530 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.0360 -0.3030 1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.8950 -0.3460 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 1 0 0 0 0

2 3 2 0 0 0 0

2 4 1 0 0 0 0

4 5 1 0 0 0 0

4 6 1 0 0 0 0

4 12 1 0 0 0 0

5 11 1 0 0 0 0

6 7 1 0 0 0 0

6 8 1 0 0 0 0

6 9 1 0 0 0 0

7 13 1 0 0 0 0

7 14 1 0 0 0 0

7 15 1 0 0 0 0

8 16 1 0 0 0 0

8 17 1 0 0 0 0

8 18 1 0 0 0 0

9 10 1 0 0 0 0

9 19 1 0 0 0 0

9 20 1 0 0 0 0

10 21 1 0 0 0 0

M CHG 1 1 -1

M END): 24 ms

reading 21 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

21 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

Script completed

Jmol script terminated

Molfile expand

Formula

C6H11O4

Net Charge

-1

Average Mass

147.14914

Monoisotopic Mass

147.06628

InChI

InChI=1S/C6H12O4/c1-6(2,3-7)4(8)5(9)10/h4,7-8H,3H2,1-2H3,(H,9,10)/p-1/t4-/m0/s1

InChIKey

OTOIIPJYVQJATP-BYPYZUCNSA-M

SMILES

CC(C)(CO)[C@@H](O)C([O-])=O

Metabolite of Species	Details
Saccharomyces cerevisiae (NCBI:txid4932)	Source: yeast.sf.net See: PubMed

Roles Classification
Biological Role(s):	Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	(R)-pantoate (CHEBI:15980) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) (R)-pantoate (CHEBI:15980) is a hydroxy monocarboxylic acid anion (CHEBI:36059) (R)-pantoate (CHEBI:15980) is conjugate base of (R)-pantoic acid (CHEBI:18697)

Incoming	(R)-pantoic acid (CHEBI:18697) is conjugate acid of (R)-pantoate (CHEBI:15980)

IUPAC Name

(2R)-2,4-dihydroxy-3,3-dimethylbutanoate

Synonyms	Sources
(R)-Pantoate	KEGG COMPOUND
(R)-pantoate	UniProt
PANTOATE	PDBeChem

Manual Xrefs	Databases
C00522	KEGG COMPOUND
DB01930	DrugBank
PAF	PDBeChem
View more database links

Last Modified

21 January 2016

CHEBI:15980 - (R)-pantoate

ChEBI is part of the ELIXIR infrastructure