guanosine 3',5'-bis(diphosphate) (CHEBI:17633)

ChEBI > Main

CHEBI:17633 - guanosine 3',5'-bis(diphosphate)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	guanosine 3',5'-bis(diphosphate)

ChEBI ID	CHEBI:17633

Definition	A guanosine bisphosphate having diphosphate groups at both the 3' and 5'-positions.

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

Secondary ChEBI IDs	CHEBI:5565, CHEBI:42747, CHEBI:14376, CHEBI:14380, CHEBI:24445

Supplier Information	ZINC000040164933

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__251518390769315__ initializing

getValue debug = null

getValue logLevel = null

getValue allowjavascript = null

AppletRegistry.checkIn(jmolApplet0_object__251518390769315__)

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:14380","platform":"J.awtjs2d.Platform","fullName":"jmolApplet0_object__251518390769315__","display":"jmolApplet0_canvas2d","signedApplet":"true","appletReadyCallback":"Jmol._readyCallback","statusListener":"[J.appletjs.Jmol.MyStatusListener object]","codeBase":"https://www.ebi.ac.uk/chebi/javascripts/jsmol/","syncId":"251518390769315","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__251518390769315__ 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 05220816483D

starting HoverWatcher_5

Time for openFile(

Marvin 05220816483D

53 55 0 0 0 0 999 V2000

4.6840 -4.1870 -0.0230 P 0 0 2 0 0 0 0 0 0 0 0 0

4.1720 -4.1470 1.3650 O 0 0 0 0 0 0 0 0 0 0 0 0

4.9400 -5.7160 -0.4570 O 0 0 0 0 0 0 0 0 0 0 0 0

6.0670 -3.3670 -0.1090 O 0 0 0 0 0 0 0 0 0 0 0 0

3.6030 -3.5220 -1.0140 O 0 0 0 0 0 0 0 0 0 0 0 0

3.0990 -2.1650 -0.3080 P 0 0 1 0 0 0 0 0 0 0 0 0

2.9380 -2.3950 1.1450 O 0 0 0 0 0 0 0 0 0 0 0 0

4.1830 -0.9990 -0.5510 O 0 0 0 0 0 0 0 0 0 0 0 0

-3.4420 -1.1410 0.0860 N 0 0 0 0 0 0 0 0 0 0 0 0

-3.2670 -2.0780 1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0

-4.4230 -2.5330 1.4490 N 0 0 0 0 0 0 0 0 0 0 0 0

-5.4050 -1.9190 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0

-6.8160 -2.0100 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0

-7.3970 -2.7780 1.4860 O 0 0 0 0 0 0 0 0 0 0 0 0

-7.5060 -1.2210 -0.1150 N 0 0 0 0 0 0 0 0 0 0 0 0

-6.8470 -0.3700 -0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0

-7.5730 0.4150 -1.8120 N 0 0 0 0 0 0 0 0 0 0 0 0

-5.5360 -0.2760 -0.9540 N 0 0 0 0 0 0 0 0 0 0 0 0

-4.7870 -1.0220 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0

0.6770 3.2160 0.2000 P 0 0 1 0 0 0 0 0 0 0 0 0

1.8480 2.4130 0.6170 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.1390 3.6930 1.5030 O 0 0 0 0 0 0 0 0 0 0 0 0

1.1760 4.5070 -0.6230 O 0 0 0 0 0 0 0 0 0 0 0 0

2.4950 5.0520 0.1230 P 0 0 1 0 0 0 0 0 0 0 0 0

2.3070 4.9600 1.5880 O 0 0 0 0 0 0 0 0 0 0 0 0

3.7640 4.1630 -0.3120 O 0 0 0 0 0 0 0 0 0 0 0 0

2.7490 6.5880 -0.2900 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.8920 4.2110 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0

3.8510 4.2500 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0

3.5460 6.8740 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.3120 -2.3940 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0

-8.4750 -1.2660 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0

1.6860 -1.7240 -0.9420 O 0 0 0 0 0 0 0 0 0 0 0 0

1.2370 -0.5890 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.1090 -0.1170 -0.7530 C 0 0 1 0 0 0 0 0 0 0 0 0

-1.1290 -1.1100 -0.5100 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.5940 1.1400 0.0040 C 0 0 1 0 0 0 0 0 0 0 0 0

-0.2810 2.3220 -0.7360 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.1260 0.9510 0.1040 C 0 0 1 0 0 0 0 0 0 0 0 0

-2.8060 2.0130 -0.5690 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.3820 -0.3990 -0.6020 C 0 0 2 0 0 0 0 0 0 0 0 0

5.5910 -6.0770 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0

6.3650 -3.4170 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0

4.2580 -0.8820 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0

1.9680 0.2150 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0

1.1220 -0.8630 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.0280 0.0910 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.1480 1.1830 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.4370 0.9010 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.7530 1.8430 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.6510 -0.2360 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0

-7.1190 1.0280 -2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0

-8.5410 0.3530 -1.8240 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

1 5 1 0 0 0 0

3 42 1 0 0 0 0

4 43 1 0 0 0 0

5 6 1 0 0 0 0

6 7 2 0 0 0 0

6 8 1 0 0 0 0

6 33 1 0 0 0 0

8 44 1 0 0 0 0

9 10 4 0 0 0 0

9 19 4 0 0 0 0

10 11 4 0 0 0 0

10 31 1 0 0 0 0

11 12 4 0 0 0 0

12 13 1 0 0 0 0

12 19 4 0 0 0 0

13 14 2 0 0 0 0

13 15 1 0 0 0 0

15 16 1 0 0 0 0

15 32 1 0 0 0 0

16 17 1 0 0 0 0

16 18 2 0 0 0 0

17 52 1 0 0 0 0

17 53 1 0 0 0 0

18 19 1 0 0 0 0

20 21 2 0 0 0 0

20 22 1 0 0 0 0

20 23 1 0 0 0 0

22 28 1 0 0 0 0

23 24 1 0 0 0 0

24 25 2 0 0 0 0

24 26 1 0 0 0 0

24 27 1 0 0 0 0

26 29 1 0 0 0 0

27 30 1 0 0 0 0

33 34 1 0 0 0 0

34 35 1 0 0 0 0

34 45 1 0 0 0 0

34 46 1 0 0 0 0

35 36 1 0 0 0 0

35 37 1 0 0 0 0

35 47 1 0 0 0 0

36 41 1 0 0 0 0

37 38 1 0 0 0 0

37 39 1 0 0 0 0

37 48 1 0 0 0 0

38 20 1 0 0 0 0

39 40 1 0 0 0 0

39 41 1 0 0 0 0

39 49 1 0 0 0 0

40 50 1 0 0 0 0

41 9 1 0 0 0 0

41 51 1 0 0 0 0

M END): 18 ms

reading 53 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

53 atoms created

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

Script completed

Jmol script terminated

Molfile expand

Formula

C10H17N5O17P4

Net Charge

Average Mass

603.16052

Monoisotopic Mass

602.95699

InChI

InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1

InChIKey

BUFLLCUFNHESEH-UUOKFMHZSA-N

SMILES

Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(=O)OP(O)(O)=O)[C@H]1O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562)	See: PubMed

Roles Classification
Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	guanosine 3',5'-bis(diphosphate) (CHEBI:17633) has role Escherichia coli metabolite (CHEBI:76971) guanosine 3',5'-bis(diphosphate) (CHEBI:17633) has role mouse metabolite (CHEBI:75771) guanosine 3',5'-bis(diphosphate) (CHEBI:17633) is a guanosine bisphosphate (CHEBI:37124) guanosine 3',5'-bis(diphosphate) (CHEBI:17633) is conjugate acid of guanosine 3',5'-bis(diphosphate)(5−) (CHEBI:77828) guanosine 3',5'-bis(diphosphate) (CHEBI:17633) is conjugate acid of guanosine 3',5'-bis(diphosphate)(6−) (CHEBI:58215)

Incoming	guanosine 3',5'-bis(diphosphate)(5−) (CHEBI:77828) is conjugate base of guanosine 3',5'-bis(diphosphate) (CHEBI:17633) guanosine 3',5'-bis(diphosphate)(6−) (CHEBI:58215) is conjugate base of guanosine 3',5'-bis(diphosphate) (CHEBI:17633)

IUPAC Name

guanosine 3',5'-bis(trihydrogen diphosphate)

Synonyms	Sources
Guanosine 3',5'-bis(diphosphate)	KEGG COMPOUND
Guanosine 3'-diphosphate 5'-diphosphate	KEGG COMPOUND
Guanosine 5'-diphosphate,3'-diphosphate	KEGG COMPOUND
GUANOSINE-5',3'-TETRAPHOSPHATE	PDBeChem

Manual Xrefs	Databases
C01228	KEGG COMPOUND
DB04022	DrugBank
G4P	PDBeChem
View more database links

Last Modified

27 January 2016

CHEBI:17633 - guanosine 3',5'-bis(diphosphate)

ChEBI is part of the ELIXIR infrastructure