2-phospho-L-lactic acid (CHEBI:45013)

ChEBI > Main

CHEBI:45013 - 2-phospho-L-lactic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	2-phospho-L-lactic acid

ChEBI ID	CHEBI:45013

ChEBI ASCII Name	2-phospho-L-lactic acid

Definition	The (S)-enantiomer of 2-phospholactic acid.

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

Supplier Information	ZINC000006486927

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__588249570294527__ initializing

getValue debug = null

getValue logLevel = null

getValue allowjavascript = null

AppletRegistry.checkIn(jmolApplet0_object__588249570294527__)

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:45013","platform":"J.awtjs2d.Platform","fullName":"jmolApplet0_object__588249570294527__","display":"jmolApplet0_canvas2d","signedApplet":"true","appletReadyCallback":"Jmol._readyCallback","statusListener":"[J.appletjs.Jmol.MyStatusListener object]","codeBase":"https://www.ebi.ac.uk/chebi/javascripts/jsmol/","syncId":"588249570294527","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__588249570294527__ 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 09130721003D

starting HoverWatcher_5

Time for openFile(

Marvin 09130721003D

17 16 0 0 0 0 999 V2000

-2.0390 -0.3700 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.0070 -1.2610 -0.8630 O 0 0 0 0 0 0 0 0 0 0 0 0

-3.0940 -0.2490 0.7730 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.8950 0.6060 0.0470 C 0 0 2 0 0 0 0 0 0 0 0 0

-1.3830 2.0040 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0

0.1490 0.2030 -0.8420 O 0 0 0 0 0 0 0 0 0 0 0 0

1.4560 -0.0550 0.0630 P 0 0 1 0 0 0 0 0 0 0 0 0

1.7500 1.1550 0.8630 O 0 0 0 0 0 0 0 0 0 0 0 0

1.1880 -1.2990 1.0500 O 0 0 0 0 0 0 0 0 0 0 0 0

2.7110 -0.3860 -0.8900 O 0 0 0 0 0 0 0 0 0 0 0 0

-3.8280 -0.8750 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.5160 0.6240 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.7620 1.9860 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.1800 2.3110 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.5550 2.7090 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0

1.0010 -2.0640 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0

3.4710 -0.5340 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 2 0 0 0 0

1 3 1 0 0 0 0

1 4 1 0 0 0 0

3 11 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 13 1 0 0 0 0

5 14 1 0 0 0 0

5 15 1 0 0 0 0

6 7 1 0 0 0 0

7 8 2 0 0 0 0

7 9 1 0 0 0 0

7 10 1 0 0 0 0

9 16 1 0 0 0 0

10 17 1 0 0 0 0

M END): 21 ms

reading 17 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

17 atoms created

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

Script completed

Jmol script terminated

Molfile expand

Formula

C3H7O6P

Net Charge

Average Mass

170.05780

Monoisotopic Mass

169.99802

InChI

InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m0/s1

InChIKey

CSZRNWHGZPKNKY-REOHCLBHSA-N

SMILES

C[C@H](OP(O)(O)=O)C(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	2-phospho-L-lactic acid (CHEBI:45013) is a 2-phospholactic acid (CHEBI:340863) 2-phospho-L-lactic acid (CHEBI:45013) is a carboxyalkyl phosphate (CHEBI:36952) 2-phospho-L-lactic acid (CHEBI:45013) is conjugate acid of 2-phospho-L-lactate (CHEBI:59433) 2-phospho-L-lactic acid (CHEBI:45013) is conjugate acid of 2-phosphonato-L-lactate(3−) (CHEBI:59906)

Incoming	F₄₂₀-0 (CHEBI:59532) has functional parent 2-phospho-L-lactic acid (CHEBI:45013) F₄₂₀-0(2−) (CHEBI:59531) has functional parent 2-phospho-L-lactic acid (CHEBI:45013) 2-phospho-L-lactate (CHEBI:59433) is conjugate base of 2-phospho-L-lactic acid (CHEBI:45013) 2-phosphonato-L-lactate(3−) (CHEBI:59906) is conjugate base of 2-phospho-L-lactic acid (CHEBI:45013)

IUPAC Name

(2S)-2-(phosphonooxy)propanoic acid

Synonyms	Sources
(2S)-2-phospholactic acid	ChEBI
L-PHOSPHOLACTATE	PDBeChem
L-phospholactic acid	ChEBI
phospho-L-lactic acid	ChEBI

Manual Xrefs	Databases
C19156	KEGG COMPOUND
DB01733	DrugBank
PEQ	PDBeChem
View more database links

Registry Number	Type	Source
1725493	Beilstein Registry Number	Beilstein

Citation

Min T, Vedadi M, Watson DC, Wasney GA, Munger C, Cygler M, Matte A, Young NM (2009)
Specificity of Campylobacter jejuni adhesin PEB3 for phosphates and structural differences among its ligand complexes.
Biochemistry 48, 3057-3067 [PubMed:19236052]
[show Abstract]

Last Modified

28 July 2014

CHEBI:45013 - 2-phospho-L-lactic acid

ChEBI is part of the ELIXIR infrastructure