3'-MANT-GDP (CHEBI:85434)

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CHEBI:85434 - 3'-MANT-GDP

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ChEBI Name	3'-MANT-GDP

ChEBI ID	CHEBI:85434

Definition	A purine ribonucleoside 5'-diphosphate that is GDP substituted at the 3' position by an N-methylanthraniloyl group.

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

Supplier Information	ZINC000044137940

Download	Molfile XML SDF

more structures >>

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The Resolver thinks Mol

BGO - Ideal conformer

RDKit 3D

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Time for openFile(BGO - Ideal conformer

RDKit 3D

60 63 0 0 0 0 0 0 0 0999 V2000

-2.5000 -2.6400 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0

-3.8740 5.6500 0.3510 N 0 0 0 0 0 0 0 0 0 0 0 0

-4.1560 4.4150 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0

-5.3650 4.2060 1.4680 N 0 0 0 0 0 0 0 0 0 0 0 0

-3.3030 3.4190 0.7690 N 0 0 0 0 0 0 0 0 0 0 0 0

-2.1120 3.5760 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.7640 4.8210 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.6910 5.8850 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.4290 6.9860 -0.7130 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.5210 4.6980 -0.8860 N 0 0 0 0 0 0 0 0 0 0 0 0

-0.0970 3.4810 -0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.0460 2.7500 -0.0550 N 0 0 0 0 0 0 0 0 0 0 0 0

4.3130 -1.0580 -0.4180 P 0 0 1 0 0 0 0 0 0 0 0 0

6.9870 -0.1640 0.4960 P 0 0 0 0 0 0 0 0 0 0 0 0

-3.3430 -3.5700 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.5620 -2.6260 -1.5620 O 0 0 0 0 0 0 0 0 0 0 0 0

4.5090 -0.4170 -1.7380 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.9440 1.3400 0.3260 C 0 0 1 0 0 0 0 0 0 0 0 0

7.8350 -1.5320 0.4550 O 0 0 0 0 0 0 0 0 0 0 0 0

-4.3030 -4.3600 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0

-4.4620 -4.2690 -1.6080 N 0 0 0 0 0 0 0 0 0 0 0 0

-3.0000 0.2940 -0.5120 O 0 0 0 0 0 0 0 0 0 0 0 0

4.4640 -2.6540 -0.5680 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.5980 0.4340 -0.7480 C 0 0 2 0 0 0 0 0 0 0 0 0

7.2300 0.6050 -0.7450 O 0 0 0 0 0 0 0 0 0 0 0 0

-5.0920 -5.2340 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.6640 -1.8000 0.2930 O 0 0 0 0 0 0 0 0 0 0 0 0

5.4190 -0.5090 0.6150 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.8630 -0.9110 -0.5300 C 0 0 2 0 0 0 0 0 0 0 0 0

7.4420 0.7120 1.7680 O 0 0 0 0 0 0 0 0 0 0 0 0

-4.9310 -5.3230 1.8730 C 0 0 0 0 0 0 0 0 0 0 0 0

0.4360 0.9140 0.3320 O 0 0 0 0 0 0 0 0 0 0 0 0

0.4330 -0.5180 0.2050 C 0 0 2 0 0 0 0 0 0 0 0 0

-3.9860 -4.5440 2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0

2.8420 -0.7080 0.1340 O 0 0 0 0 0 0 0 0 0 0 0 0

1.6490 -0.9710 -0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0

-3.1900 -3.6760 1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0

-5.5440 -5.0010 -2.2710 C 0 0 0 0 0 0 0 0 0 0 0 0

-4.5270 6.3630 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0

-6.0050 4.9320 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0

-5.5800 3.3330 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0

0.8630 3.1050 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.4030 1.1730 1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0

7.7240 -2.0870 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.8560 -3.7210 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.4900 1.1260 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0

4.3470 -3.1390 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.4110 0.8220 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0

-5.8310 -5.8440 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.6350 -1.3810 -1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0

8.3780 0.9560 1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0

-5.5470 -6.0040 2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0

0.4530 -0.9780 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.8690 -4.6210 3.5920 H 0 0 0 0 0 0 0 0 0 0 0 0

1.5740 -2.0400 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0

1.6790 -0.4250 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0

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-5.4240 -6.0690 -2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0

-6.5030 -4.6700 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0

-5.5100 -4.8080 -3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0

1 15 1 0

1 16 2 0

1 27 1 0

2 3 1 0

2 8 1 0

3 4 1 0

3 5 2 0

5 6 1 0

6 7 2 0

6 12 1 0

7 8 1 0

7 10 1 0

8 9 2 0

10 11 2 0

11 12 1 0

12 18 1 0

13 17 2 0

13 23 1 6

13 28 1 0

13 35 1 0

14 19 1 0

14 25 2 0

14 28 1 0

14 30 1 0

15 20 2 0

15 37 1 0

18 24 1 0

18 32 1 0

20 21 1 0

20 26 1 0

21 38 1 0

22 24 1 0

24 29 1 0

26 31 2 0

27 29 1 0

29 33 1 0

31 34 1 0

32 33 1 0

33 36 1 0

34 37 2 0

35 36 1 0

2 39 1 0

4 40 1 0

4 41 1 0

11 42 1 0

18 43 1 1

19 44 1 0

21 45 1 0

22 46 1 0

23 47 1 0

24 48 1 6

26 49 1 0

29 50 1 6

30 51 1 0

31 52 1 0

33 53 1 1

34 54 1 0

36 55 1 0

36 56 1 0

37 57 1 0

38 58 1 0

38 59 1 0

38 60 1 0

M END): 16 ms

reading 60 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

60 atoms created

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

Script completed

Jmol script terminated

Molfile expand

Formula

C18H22N6O12P2

Net Charge

Average Mass

576.352

Monoisotopic Mass

576.07709

InChI

InChI=1S/C18H22N6O12P2/c1-20-9-5-3-2-4-8(9)17(27)35-13-10(6-33-38(31,32)36-37(28,29)30)34-16(12(13)25)24-7-21-11-14(24)22-18(19)23-15(11)26/h2-5,7,10,12-13,16,20,25H,6H2,1H3,(H,31,32)(H2,28,29,30)(H3,19,22,23,26)/t10-,12-,13-,16-/m1/s1

InChIKey

DAJQUPOUYBWRQQ-XNIJJKJLSA-N

SMILES

[C@H]1([C@H](O[C@H]([C@@H]1O)N2C=NC3=C2N=C(NC3=O)N)COP(OP(O)(=O)O)(=O)O)OC(C=4C=CC=CC4NC)=O

Roles Classification
Biological Role(s):	mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). (via nucleoside 5'-diphosphate )

Application(s):	fluorescent probe A role played by a fluorescent molecular entity used to study the microscopic environment by fluorescence spectroscopy.

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	3'-MANT-GDP (CHEBI:85434) has functional parent N-methylanthranilic acid (CHEBI:16394) 3'-MANT-GDP (CHEBI:85434) has functional parent GDP (CHEBI:17552) 3'-MANT-GDP (CHEBI:85434) has role fluorescent probe (CHEBI:39442) 3'-MANT-GDP (CHEBI:85434) is a purine ribonucleoside 5'-diphosphate (CHEBI:37038)

Incoming	3'-MANT-GTP (CHEBI:145576) has functional parent 3'-MANT-GDP (CHEBI:85434) MANT-GDP (CHEBI:84677) has part 3'-MANT-GDP (CHEBI:85434)

IUPAC Name

3'-O-[2-(methylamino)benzoyl]guanosine 5'-(trihydrogen diphosphate)

Synonyms	Sources
3'-O-(N-methylanthraniloyl)-GDP	ChEBI
3'-O-(N-methylanthraniloyl)guanosine 5'-diphosphate	ChEBI

Manual Xref	Database
BGO	PDBeChem
View more database links

Registry Number	Type	Source
91828-87-4	CAS Registry Number	ChEBI

Citation

Ash MR, Maher MJ, Guss JM, Jormakka M (2011)
The structure of an N11A mutant of the G-protein domain of FeoB.
Acta crystallographica. Section F, Structural biology and crystallization communications 67, 1511-1515 [PubMed:22139154]
[show Abstract]

Last Modified

05 December 2019

CHEBI:85434 - 3'-MANT-GDP

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