dCDP (CHEBI:28846)

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CHEBI:28846 - dCDP

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ChEBI Name	dCDP

ChEBI ID	CHEBI:28846

Definition	A 2'-deoxycytidine phosphate that is the 2'- deoxy derivative of cytidine 5'-diphosphate (CDP).

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

Secondary ChEBI IDs	CHEBI:49966, CHEBI:19241, CHEBI:10492

Supplier Information	ChemicalBook:CB4746489, eMolecules:29541897, ZINC000003806262

Download	Molfile XML SDF

more structures >>

Molfile

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The Resolver thinks Mol

Mrv0541 05221414163D

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Mrv0541 05221414163D

39 40 0 0 0 0 999 V2000

-5.4580 -4.4040 1.7230 O 0 0 0 0 0 0 0 0 0 0 0 0

-5.1130 -3.0930 0.8420 P 0 0 2 0 0 0 0 0 0 0 0 0

-6.2840 -2.2110 0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0

-4.3310 -3.6940 -0.4390 O 0 0 0 0 0 0 0 0 0 0 0 0

-3.9410 -2.3770 1.6930 O 0 0 0 0 0 0 0 0 0 0 0 0

-3.9620 -1.6860 3.1550 P 0 0 2 0 0 0 0 0 0 0 0 0

-4.3600 -2.6130 4.2670 O 0 0 0 0 0 0 0 0 0 0 0 0

-4.9510 -0.4220 2.9530 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.4930 -1.0280 3.3150 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.0050 -0.1360 2.3270 C 0 0 1 0 0 0 0 0 0 0 0 0

-0.6110 0.3280 2.7280 C 0 0 1 0 0 0 0 0 0 0 0 0

0.2470 -0.8290 2.7640 O 0 0 0 0 0 0 0 0 0 0 0 0

0.0080 1.2860 1.7200 C 0 0 1 0 0 0 0 0 0 0 0 0

0.9650 2.1210 2.3680 O 0 0 0 0 0 0 0 0 0 0 0 0

0.7100 0.3600 0.7540 C 0 0 1 0 0 0 0 0 0 0 0 0

1.1570 -0.7780 1.6570 C 0 0 2 0 0 0 0 0 0 0 0 0

1.1640 -2.0470 0.9890 N 0 0 0 0 0 0 0 0 0 0 0 0

2.3280 -2.5610 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0

3.3860 -1.9290 0.3790 O 0 0 0 0 0 0 0 0 0 0 0 0

2.2600 -3.7940 -0.2590 N 0 0 0 0 0 0 0 0 0 0 0 0

1.1470 -4.4790 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0

1.1010 -5.7020 -0.9100 N 0 0 0 0 0 0 0 0 0 0 0 0

-0.0940 -3.9720 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.0080 -2.7850 0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.9710 -0.6540 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.6830 0.7180 2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.6440 0.7530 3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.7220 1.9410 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0

2.1630 -0.6040 2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0

0.7430 3.0420 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.0030 -0.0010 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0

1.5560 0.8180 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.8670 -2.3410 1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0

0.3490 -6.3100 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0

1.8220 -5.9230 -1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.0050 -4.5540 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0

-6.2130 -4.9700 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.8490 -4.1180 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0

-5.2400 0.0850 3.7420 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 1 0 0 0 0

1 37 1 0 0 0 0

2 3 2 0 0 0 0

2 4 1 0 0 0 0

2 5 1 0 0 0 0

4 38 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 9 1 0 0 0 0

8 39 1 0 0 0 0

9 10 1 0 0 0 0

10 11 1 0 0 0 0

10 25 1 0 0 0 0

10 26 1 0 0 0 0

11 12 1 0 0 0 0

11 13 1 0 0 0 0

11 27 1 0 0 0 0

12 16 1 0 0 0 0

13 14 1 0 0 0 0

13 15 1 0 0 0 0

13 28 1 0 0 0 0

14 30 1 0 0 0 0

15 16 1 0 0 0 0

15 31 1 0 0 0 0

15 32 1 0 0 0 0

16 17 1 0 0 0 0

16 29 1 0 0 0 0

17 18 1 0 0 0 0

17 24 1 0 0 0 0

18 19 2 0 0 0 0

18 20 1 0 0 0 0

20 21 2 0 0 0 0

21 22 1 0 0 0 0

21 23 1 0 0 0 0

22 34 1 0 0 0 0

22 35 1 0 0 0 0

23 24 2 0 0 0 0

23 36 1 0 0 0 0

24 33 1 0 0 0 0

M END): 24 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

Wikipedia	License
Pentostatin (or deoxycoformycin, trade name Nipent, manufactured by SuperGen) is an anticancer chemotherapeutic drug.
Read full article at Wikipedia

Formula

C9H15N3O10P2

Net Charge

Average Mass

387.17700

Monoisotopic Mass

387.02327

InChI

InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

InChIKey

FTDHDKPUHBLBTL-SHYZEUOFSA-N

SMILES

Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)c(=O)n1

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Mycoplasma genitalium (NCBI:txid2097)	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). (via nucleoside 5'-diphosphate ) human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). Mycoplasma genitalium metabolite Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	dCDP (CHEBI:28846) has functional parent CDP (CHEBI:17239) dCDP (CHEBI:28846) has role Escherichia coli metabolite (CHEBI:76971) dCDP (CHEBI:28846) has role Mycoplasma genitalium metabolite (CHEBI:131604) dCDP (CHEBI:28846) has role human metabolite (CHEBI:77746) dCDP (CHEBI:28846) has role mouse metabolite (CHEBI:75771) dCDP (CHEBI:28846) is a 2'-deoxycytidine phosphate (CHEBI:37092) dCDP (CHEBI:28846) is a pyrimidine 2'-deoxyribonucleoside 5'-diphosphate (CHEBI:37037) dCDP (CHEBI:28846) is conjugate acid of dCDP(3−) (CHEBI:58593)

Incoming	dCDP(3−) (CHEBI:58593) is conjugate base of dCDP (CHEBI:28846)

IUPAC Name

2'-deoxycytidine 5'-(trihydrogen diphosphate)

Synonyms	Sources
2'-Deoxycytidine 5'-diphosphate	KEGG COMPOUND
2'-Deoxycytidine diphosphate	KEGG COMPOUND
D-1beta-Ribofuranosylcytosine diphosphate	ChemIDplus
dCDP	KEGG COMPOUND
deoxycytidine diphosphate	ChEBI

Manual Xrefs	Databases
C00705	KEGG COMPOUND
DCDP	MetaCyc
Deoxycytidine_diphosphate	Wikipedia
HMDB0001245	HMDB
YYY	PDBeChem
View more database links

Registry Numbers	Types	Sources
60648	Reaxys Registry Number	Reaxys
800-73-7	CAS Registry Number	ChemIDplus

Citations	Types	Sources
22212996	PubMed citation	Europe PMC
22817898	PubMed citation	Europe PMC
2990252	PubMed citation	Europe PMC

Last Modified

22 April 2016

CHEBI:28846 - dCDP

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