geranyl diphosphate (CHEBI:17211)

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CHEBI:17211 - geranyl diphosphate

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ChEBI Name	geranyl diphosphate

ChEBI ID	CHEBI:17211

Definition	The diphosphate of the polyprenol compound geraniol.

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

Secondary ChEBI IDs	CHEBI:14299, CHEBI:5332, CHEBI:42877, CHEBI:24223

Supplier Information	ChemicalBook:CB2185552, ZINC000008215481

Download	Molfile XML SDF

more structures >>

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Marvin 10160719003D

39 38 0 0 0 0 999 V2000

3.1636 0.6050 1.1234 C 0 0 0 0 0 0 0 0 0 0 0 0

3.4696 -0.6213 1.7873 O 0 0 0 0 0 0 0 0 0 0 0 0

1.7020 0.6268 0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0

1.3307 1.0315 -0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0

2.3489 1.5957 -1.3874 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.1155 0.9344 -0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.3675 -0.4211 -1.5067 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.8141 -0.5178 -1.9177 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.5419 -1.5297 -1.5173 C 0 0 0 0 0 0 0 0 0 0 0 0

-4.0172 -1.5647 -1.8213 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.9039 -2.6607 -0.7521 C 0 0 0 0 0 0 0 0 0 0 0 0

5.0386 -0.5773 2.1472 P 0 0 2 0 0 0 0 0 0 0 0 0

5.3091 0.5795 3.0297 O 0 0 0 0 0 0 0 0 0 0 0 0

5.8956 -0.4319 0.7931 O 0 0 0 0 0 0 0 0 0 0 0 0

5.4545 -1.9364 2.9020 O 0 0 0 0 0 0 0 0 0 0 0 0

7.0264 -1.8231 3.2309 P 0 0 2 0 0 0 0 0 0 0 0 0

7.7846 -1.6702 1.9683 O 0 0 0 0 0 0 0 0 0 0 0 0

7.5133 -3.1570 3.9906 O 0 0 0 0 0 0 0 0 0 0 0 0

7.2884 -0.5453 4.1721 O 0 0 0 0 0 0 0 0 0 0 0 0

3.3848 1.4417 1.7848 H 0 0 0 0 0 0 0 0 0 0 0 0

3.7653 0.6886 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0

0.9612 0.3085 1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0

2.8803 2.4186 -0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0

1.8450 1.9606 -2.2822 H 0 0 0 0 0 0 0 0 0 0 0 0

3.0591 0.8165 -1.6627 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.7510 1.0310 0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.3485 1.7326 -1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0

0.2676 -0.5173 -2.3867 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.1349 -1.2189 -0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.2499 0.2465 -2.5438 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.4517 -2.4760 -1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.1669 -1.5437 -2.8997 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.5008 -0.6969 -1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.0683 -3.0617 -1.3253 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.6396 -3.4472 -0.5846 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.5408 -2.2913 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0

5.6902 -1.2032 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0

8.4575 -3.0491 4.1673 H 0 0 0 0 0 0 0 0 0 0 0 0

6.7778 -0.6838 4.9812 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 1 0 0 0 0

1 3 1 0 0 0 0

1 20 1 0 0 0 0

1 21 1 0 0 0 0

2 12 1 0 0 0 0

3 4 2 0 0 0 0

3 22 1 0 0 0 0

4 5 1 0 0 0 0

4 6 1 0 0 0 0

5 23 1 0 0 0 0

5 24 1 0 0 0 0

5 25 1 0 0 0 0

6 7 1 0 0 0 0

6 26 1 0 0 0 0

6 27 1 0 0 0 0

7 8 1 0 0 0 0

7 28 1 0 0 0 0

7 29 1 0 0 0 0

8 9 2 0 0 0 0

8 30 1 0 0 0 0

9 10 1 0 0 0 0

9 11 1 0 0 0 0

10 31 1 0 0 0 0

10 32 1 0 0 0 0

10 33 1 0 0 0 0

11 34 1 0 0 0 0

11 35 1 0 0 0 0

11 36 1 0 0 0 0

12 13 2 0 0 0 0

12 14 1 0 0 0 0

12 15 1 0 0 0 0

14 37 1 0 0 0 0

15 16 1 0 0 0 0

16 17 2 0 0 0 0

16 18 1 0 0 0 0

16 19 1 0 0 0 0

18 38 1 0 0 0 0

19 39 1 0 0 0 0

M END): 18 ms

reading 39 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

39 atoms created

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

Script completed

Jmol script terminated

Molfile expand

Formula

C10H20O7P2

Net Charge

Average Mass

314.20912

Monoisotopic Mass

314.06843

InChI

InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+

InChIKey

GVVPGTZRZFNKDS-JXMROGBWSA-N

SMILES

CC(C)=CCC\C(C)=C\COP(O)(=O)OP(O)(O)=O

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	geranyl diphosphate (CHEBI:17211) has functional parent geraniol (CHEBI:17447) geranyl diphosphate (CHEBI:17211) has role Escherichia coli metabolite (CHEBI:76971) geranyl diphosphate (CHEBI:17211) has role mouse metabolite (CHEBI:75771) geranyl diphosphate (CHEBI:17211) is a polyprenyl diphosphate (CHEBI:37531) geranyl diphosphate (CHEBI:17211) is conjugate acid of geranyl diphosphate(3−) (CHEBI:58057)

Incoming	geranyl diphosphate(3−) (CHEBI:58057) is conjugate base of geranyl diphosphate (CHEBI:17211)

IUPAC Name

(2E)-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate

Synonyms	Sources
GERANYL DIPHOSPHATE	PDBeChem
Geranyl diphosphate	KEGG COMPOUND
geranyl pyrophosphate	ChemIDplus

Manual Xrefs	Databases
C00000846	KNApSAcK
C00341	KEGG COMPOUND
DB02552	DrugBank
GPP	PDBeChem
LMPR0102010001	LIPID MAPS
View more database links

Registry Numbers	Types	Sources
1915690	Reaxys Registry Number	Reaxys
763-10-0	CAS Registry Number	ChemIDplus

Citations	Types	Sources
19049370	PubMed citation	Europe PMC
19856009	PubMed citation	Europe PMC
23607888	PubMed citation	Europe PMC
7753173	PubMed citation	Europe PMC

Last Modified

26 October 2016

CHEBI:17211 - geranyl diphosphate

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