D-pantetheine 4'-phosphate (CHEBI:4222)

ChEBI > Main

CHEBI:4222 - D-pantetheine 4'-phosphate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	D-pantetheine 4'-phosphate

ChEBI ID	CHEBI:4222

ChEBI ASCII Name	D-pantetheine 4'-phosphate

Definition	Pantetheine 4'-phosphate with D (R) configuration at the 2' position.

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

Secondary ChEBI IDs	CHEBI:45012

Supplier Information	No supplier information found for this compound.

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__9797036716138305__ initializing

getValue debug = null

getValue logLevel = null

getValue allowjavascript = null

AppletRegistry.checkIn(jmolApplet0_object__9797036716138305__)

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:4222","platform":"J.awtjs2d.Platform","fullName":"jmolApplet0_object__9797036716138305__","display":"jmolApplet0_canvas2d","signedApplet":"true","appletReadyCallback":"Jmol._readyCallback","statusListener":"[J.appletjs.Jmol.MyStatusListener object]","codeBase":"https://www.ebi.ac.uk/chebi/javascripts/jsmol/","syncId":"9797036716138305","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__9797036716138305__ 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 04041111453D

starting HoverWatcher_5

Time for openFile(

Marvin 04041111453D

45 44 0 0 0 0 999 V2000

3.2890 -0.6620 4.8040 O 0 0 0 0 0 0 0 0 0 0 0 0

2.0940 0.1590 4.1050 P 0 0 2 0 0 0 0 0 0 0 0 0

2.6060 0.7630 2.7030 O 0 0 0 0 0 0 0 0 0 0 0 0

1.6690 1.2640 4.9930 O 0 0 0 0 0 0 0 0 0 0 0 0

0.8480 -0.8260 3.8400 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.1740 -0.0420 3.2220 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.3930 -0.9240 2.9420 C 0 0 1 0 0 0 0 0 0 0 0 0

-0.9910 -2.0680 2.0090 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.9180 -1.5000 4.2580 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.4870 -0.0850 2.2800 C 0 0 1 0 0 0 0 0 0 0 0 0

-2.9580 0.8980 3.2030 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.9270 0.5980 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.7480 1.7980 1.0650 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.6240 -0.1220 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0

-1.1560 0.5520 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.8850 -0.4870 -2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.4030 0.2060 -3.5880 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.2870 1.4130 -3.6040 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.1000 -0.5150 -4.6860 N 0 0 0 0 0 0 0 0 0 0 0 0

0.3670 0.1590 -5.8990 C 0 0 0 0 0 0 0 0 0 0 0 0

0.6380 -0.8800 -6.9880 C 0 0 0 0 0 0 0 0 0 0 0 0

1.2180 -0.0450 -8.4900 S 0 0 0 0 0 0 0 0 0 0 0 0

-3.3130 -0.7320 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.1980 1.4480 3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.7160 -1.0870 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.1930 -1.4800 -4.6720 H 0 0 0 0 0 0 0 0 0 0 0 0

1.3920 -1.1080 -9.2960 H 0 0 0 0 0 0 0 0 0 0 0 0

4.0130 -0.0370 4.9440 H 0 0 0 0 0 0 0 0 0 0 0 0

2.8730 0.0120 2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0

0.2000 0.3670 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.4590 0.7720 3.8870 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.5040 -1.6600 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.3040 -2.7360 2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.8810 -2.6220 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.2660 -0.6880 4.8970 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.7440 -2.1810 4.0530 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.1180 -2.0410 4.7630 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.9180 1.2500 -1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.2370 1.0960 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.1220 -1.1850 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.8030 -1.0320 -2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.3950 0.8570 -6.2440 H 0 0 0 0 0 0 0 0 0 0 0 0

1.2860 0.7040 -5.6800 H 0 0 0 0 0 0 0 0 0 0 0 0

1.4010 -1.5780 -6.6430 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.2800 -1.4250 -7.2070 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 1 0 0 0 0

1 28 1 0 0 0 0

2 3 1 0 0 0 0

2 4 2 0 0 0 0

2 5 1 0 0 0 0

3 29 1 0 0 0 0

5 6 1 0 0 0 0

6 7 1 0 0 0 0

6 30 1 0 0 0 0

6 31 1 0 0 0 0

7 8 1 0 0 0 0

7 9 1 0 0 0 0

7 10 1 0 0 0 0

8 32 1 0 0 0 0

8 33 1 0 0 0 0

8 34 1 0 0 0 0

9 35 1 0 0 0 0

9 36 1 0 0 0 0

9 37 1 0 0 0 0

10 11 1 0 0 0 0

10 12 1 0 0 0 0

10 23 1 0 0 0 0

11 24 1 0 0 0 0

12 13 2 0 0 0 0

12 14 1 0 0 0 0

14 15 1 0 0 0 0

14 25 1 0 0 0 0

15 16 1 0 0 0 0

15 38 1 0 0 0 0

15 39 1 0 0 0 0

16 17 1 0 0 0 0

16 40 1 0 0 0 0

16 41 1 0 0 0 0

17 18 2 0 0 0 0

17 19 1 0 0 0 0

19 20 1 0 0 0 0

19 26 1 0 0 0 0

20 21 1 0 0 0 0

20 42 1 0 0 0 0

20 43 1 0 0 0 0

21 22 1 0 0 0 0

21 44 1 0 0 0 0

21 45 1 0 0 0 0

22 27 1 0 0 0 0

M END): 26 ms

reading 45 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

45 atoms created

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

Script completed

Jmol script terminated

Molfile expand

Formula

C11H23N2O7PS

Net Charge

Average Mass

358.34800

Monoisotopic Mass

358.09636

InChI

InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1

InChIKey

JDMUPRLRUUMCTL-VIFPVBQESA-N

SMILES

CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS

Roles Classification
Biological Role(s):	prosthetic group A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity. cofactor An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group). (via pantetheine 4'-phosphate ) (via pantothenic acids ) water-soluble vitamin (role) Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine. (via pantothenic acids )

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	D-pantetheine 4'-phosphate (CHEBI:4222) has role prosthetic group (CHEBI:26348) D-pantetheine 4'-phosphate (CHEBI:4222) is a pantetheine 4'-phosphate (CHEBI:16858) D-pantetheine 4'-phosphate (CHEBI:4222) is conjugate acid of D-pantetheine 4'-phosphate(2−) (CHEBI:61723)

Incoming	O-(S-acylpantetheine-4'-phosphoryl)serine (CHEBI:76242) has functional parent D-pantetheine 4'-phosphate (CHEBI:4222) S-acyl-4ʼ-phosphopantetheine (CHEBI:132310) has functional parent D-pantetheine 4'-phosphate (CHEBI:4222) D-pantetheine 4'-phosphate(2−) (CHEBI:61723) is conjugate base of D-pantetheine 4'-phosphate (CHEBI:4222)

IUPAC Name

N³-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-β-alaninamide

Synonyms	Sources
(2R)-2-Hydroxy-N-(3-((2-mercaptoethyl)amino)-3-oxopropyl)-3,3-dimethyl-4-(phosphonooxy)butanamide	ChemIDplus
4'-PHOSPHOPANTETHEINE	PDBeChem
4'-Phosphopantetheine	KEGG COMPOUND
D-Pantetheine 4'-phosphate	KEGG COMPOUND
D-Pantetheine 4'-phosphate	KEGG COMPOUND
O⁴-phosphono-D-pantethein	ChEBI
Pantetheine-4'-phosphate	ChemIDplus
Phosphopantetheine	ChemIDplus
Phosphopantetheine	KEGG COMPOUND
Psh-4'-P	ChemIDplus

Manual Xrefs	Databases
C00007448	KNApSAcK
C01134	KEGG COMPOUND
PNS	PDBeChem
View more database links

Registry Numbers	Types	Sources
1716796	Reaxys Registry Number	Reaxys
2226-71-3	CAS Registry Number	ChemIDplus

Last Modified

29 June 2016

CHEBI:4222 - D-pantetheine 4'-phosphate

ChEBI is part of the ELIXIR infrastructure