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Nucleosides and Analogues

Nitrogenous bases covalently linked to a sugar with and without phosphate groups; used for synthesis, cell signaling, and as cofactors in enzymatic reactions; includes pyrimidine, purine, pyridine, flavin, pyrrolopyrimidine, and triazole varieties.
Purine nucleotides (319)
Pyrimidine nucleosides (285)
Purine nucleosides (183)
Pyridine nucleotides (164)
Pyrimidine nucleotides (64)
Flavin nucleotides (28)
Nucleoside and nucleotide analogues (14)
Triazole ribonucleosides and ribonucleotides (14)
Benzimidazole ribonucleosides and ribonucleotides (11)

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61 – 75 of 880 results
61

MP Biomedicals, Inc β-Nicotinamide Adenine Dinucleotide, Oxidized, Free Acid, 99%, MP Biomedicals™

CAS: 53-84-9 Molecular Formula: C21H27N7O14P2 Molecular Weight (g/mol): 663.43 MDL Number: MFCD00150377 InChI Key: BAWFJGJZGIEFAR-WIWLTUSXNA-N Synonym: nicotinamide adenine dinucleotide,nad+,diphosphopyridine nucleotide,nad-oxidized,nicotinamide-adenine dinucleotide,dpn-ox,beta-nicotinamide adenine dinucleotide,dpn+,nad,nad + PubChem CID: 15938971 ChEBI: CHEBI:57540 IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate SMILES: NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O

PubChem CID 15938971
CAS 53-84-9
Molecular Weight (g/mol) 663.43
ChEBI CHEBI:57540
MDL Number MFCD00150377
SMILES NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O
Synonym nicotinamide adenine dinucleotide,nad+,diphosphopyridine nucleotide,nad-oxidized,nicotinamide-adenine dinucleotide,dpn-ox,beta-nicotinamide adenine dinucleotide,dpn+,nad,nad +
IUPAC Name [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
InChI Key BAWFJGJZGIEFAR-WIWLTUSXNA-N
Molecular Formula C21H27N7O14P2
62

Thermo Scientific Chemicals N-Benzoyl-2'-deoxycytidine, 98+%

CAS: 4836-13-9 Molecular Formula: C16H17N3O5 Molecular Weight (g/mol): 331.33 MDL Number: MFCD00010115 InChI Key: MPSJHJFNKMUKCN-OUCADQQQSA-N Synonym: n4-benzoyl-2'-deoxycytidine,n-benzoyl-2'-deoxy-cytidine,n-benzoyl-2'-deoxycytidine,cytidine, n-benzoyl-2'-deoxy,cytidine,n-benzoyl-2'-deoxy,n-benzoyl-2-deoxy-cytidine,dc-bz,ksc590o7t,n-benzoyl-2/'-deoxycytidine PubChem CID: 9797617 IUPAC Name: N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide SMILES: OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(NC(=O)C2=CC=CC=C2)=NC1=O

PubChem CID 9797617
CAS 4836-13-9
Molecular Weight (g/mol) 331.33
MDL Number MFCD00010115
SMILES OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(NC(=O)C2=CC=CC=C2)=NC1=O
Synonym n4-benzoyl-2'-deoxycytidine,n-benzoyl-2'-deoxy-cytidine,n-benzoyl-2'-deoxycytidine,cytidine, n-benzoyl-2'-deoxy,cytidine,n-benzoyl-2'-deoxy,n-benzoyl-2-deoxy-cytidine,dc-bz,ksc590o7t,n-benzoyl-2/'-deoxycytidine
IUPAC Name N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
InChI Key MPSJHJFNKMUKCN-OUCADQQQSA-N
Molecular Formula C16H17N3O5
63

Thermo Scientific Chemicals 3'-Azido-3'-deoxythymidine, 98%

CAS: 30516-87-1 Molecular Formula: C10H13N5O4 Molecular Weight (g/mol): 267.25 MDL Number: MFCD00006536 InChI Key: HBOMLICNUCNMMY-CFQLRCIDNA-N Synonym: azt; azidothymidine; zdv; zidovudine,1-2r-4-azido-5-hydroxymethyl oxolan-2-yl-5-methyl-3h-pyrimidine-2,4-dione PubChem CID: 455007 IUPAC Name: 1-[(2R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione SMILES: CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O

PubChem CID 455007
CAS 30516-87-1
Molecular Weight (g/mol) 267.25
MDL Number MFCD00006536
SMILES CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O
Synonym azt; azidothymidine; zdv; zidovudine,1-2r-4-azido-5-hydroxymethyl oxolan-2-yl-5-methyl-3h-pyrimidine-2,4-dione
IUPAC Name 1-[(2R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI Key HBOMLICNUCNMMY-CFQLRCIDNA-N
Molecular Formula C10H13N5O4
64

Thermo Scientific Chemicals Gemcitabine, 98%

CAS: 95058-81-4 Molecular Formula: C9H11F2N3O4 Molecular Weight (g/mol): 263.2 InChI Key: SDUQYLNIPVEERB-QPPQHZFASA-N Synonym: gemcitabine,2',2'-difluorodeoxycytidine,gemcitabinum,gamcitabine,gemcitabina,gemcitabine hcl,dfdc,2'-deoxy-2',2'-difluorocytidine,folfugem,gemcel PubChem CID: 60750 ChEBI: CHEBI:175901 IUPAC Name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F

PubChem CID 60750
CAS 95058-81-4
Molecular Weight (g/mol) 263.2
ChEBI CHEBI:175901
SMILES C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F
Synonym gemcitabine,2',2'-difluorodeoxycytidine,gemcitabinum,gamcitabine,gemcitabina,gemcitabine hcl,dfdc,2'-deoxy-2',2'-difluorocytidine,folfugem,gemcel
IUPAC Name 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
InChI Key SDUQYLNIPVEERB-QPPQHZFASA-N
Molecular Formula C9H11F2N3O4
66

N-Benzoyl-2'-deoxyadenosine, 98+%, Thermo Scientific Chemicals

CAS: 4546-72-9 Molecular Formula: C17H17N5O4 Molecular Weight (g/mol): 355.35 MDL Number: MFCD00009628 InChI Key: PIXHJAPVPCVZSV-LJEKBPCBNA-N PubChem CID: 107558 IUPAC Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide SMILES: OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C(NC(=O)C3=CC=CC=C3)N=CN=C12

PubChem CID 107558
CAS 4546-72-9
Molecular Weight (g/mol) 355.35
MDL Number MFCD00009628
SMILES OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C(NC(=O)C3=CC=CC=C3)N=CN=C12
IUPAC Name N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide
InChI Key PIXHJAPVPCVZSV-LJEKBPCBNA-N
Molecular Formula C17H17N5O4
67

Thermo Scientific Chemicals Gemcitabine hydrochloride, 98%

CAS: 122111-03-9 Molecular Formula: C9H12ClF2N3O4 Molecular Weight (g/mol): 299.66 InChI Key: OKKDEIYWILRZIA-OSZBKLCCSA-N IUPAC Name: hydrogen 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one chloride SMILES: [H+].[Cl-].NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F

CAS 122111-03-9
Molecular Weight (g/mol) 299.66
SMILES [H+].[Cl-].NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F
IUPAC Name hydrogen 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one chloride
InChI Key OKKDEIYWILRZIA-OSZBKLCCSA-N
Molecular Formula C9H12ClF2N3O4
68

MilliporeSigma Supelco Lamivudine Impurity Standard, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.

69

Thermo Scientific Chemicals 8-Bromo-2'-deoxyguanosine, 99%

CAS: 13389-03-2 Molecular Formula: C10H12BrN5O4 Molecular Weight (g/mol): 346.14 MDL Number: MFCD01630971 InChI Key: MKDXZFVCXWXGBQ-QXZWWJJYNA-N Synonym: 8-bromo-2'-deoxyguanosine,8-bromo-2'-dg,2-amino-8-bromo-9-2r,4s,5r-4-hydroxy-5-hydroxymethyl tetrahydrofuran-2-yl-1h-purin-6 9h-one,8-br-2'-dg,guanosine, 8-bromo-2'-deoxy,8-bromodeoxyguanosine,epitope id:151524,8-bromo-2?-deoxyguanosine,guanosine,8-bromo-2'-deoxy,8-bromo-2-deoxyguanosine PubChem CID: 10947964 ChEBI: CHEBI:61072 IUPAC Name: 2-amino-8-bromo-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one SMILES: NC1=NC2=C(N=C(Br)N2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1

PubChem CID 10947964
CAS 13389-03-2
Molecular Weight (g/mol) 346.14
ChEBI CHEBI:61072
MDL Number MFCD01630971
SMILES NC1=NC2=C(N=C(Br)N2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1
Synonym 8-bromo-2'-deoxyguanosine,8-bromo-2'-dg,2-amino-8-bromo-9-2r,4s,5r-4-hydroxy-5-hydroxymethyl tetrahydrofuran-2-yl-1h-purin-6 9h-one,8-br-2'-dg,guanosine, 8-bromo-2'-deoxy,8-bromodeoxyguanosine,epitope id:151524,8-bromo-2?-deoxyguanosine,guanosine,8-bromo-2'-deoxy,8-bromo-2-deoxyguanosine
IUPAC Name 2-amino-8-bromo-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
InChI Key MKDXZFVCXWXGBQ-QXZWWJJYNA-N
Molecular Formula C10H12BrN5O4
70

Thermo Scientific Chemicals 5-Methyl-2'-deoxycytidine, 99%

CAS: 838-07-3 Molecular Formula: C10H15N3O4 Molecular Weight (g/mol): 241.247 MDL Number: MFCD00006549 InChI Key: LUCHPKXVUGJYGU-XLPZGREQSA-N Synonym: 5-methyl-2'-deoxycytidine,5-methyldeoxycytidine,2'-deoxy-5-methylcytidine,unii-b200gv71qm,cytidine, 2'-deoxy-5-methyl,4-amino-1-2r,4s,5r-4-hydroxy-5-hydroxymethyl tetrahydrofuran-2-yl-5-methylpyrimidin-2 1h-one,5-mdc,1-2-deoxy-beta-d-ribofuranosyl-5-methylcytosine,5-methyl-2-deoxycytidine,4-25-00-03727 beilstein handbook reference PubChem CID: 440055 ChEBI: CHEBI:47876 IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one SMILES: CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)O

PubChem CID 440055
CAS 838-07-3
Molecular Weight (g/mol) 241.247
ChEBI CHEBI:47876
MDL Number MFCD00006549
SMILES CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)O
Synonym 5-methyl-2'-deoxycytidine,5-methyldeoxycytidine,2'-deoxy-5-methylcytidine,unii-b200gv71qm,cytidine, 2'-deoxy-5-methyl,4-amino-1-2r,4s,5r-4-hydroxy-5-hydroxymethyl tetrahydrofuran-2-yl-5-methylpyrimidin-2 1h-one,5-mdc,1-2-deoxy-beta-d-ribofuranosyl-5-methylcytosine,5-methyl-2-deoxycytidine,4-25-00-03727 beilstein handbook reference
IUPAC Name 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
InChI Key LUCHPKXVUGJYGU-XLPZGREQSA-N
Molecular Formula C10H15N3O4
71

Thermo Scientific Chemicals 3'-Deoxyuridine

CAS: 7057-27-4 Molecular Formula: C9H12N2O5 Molecular Weight (g/mol): 228.204 MDL Number: MFCD00079153 InChI Key: QOXJRLADYHZRGC-SHYZEUOFSA-N Synonym: 3'-deoxyuridine,uridine, 3'-deoxy,1-2r,3r,5s-3-hydroxy-5-hydroxymethyl tetrahydrofuran-2-yl pyrimidine-2,4 1h,3h-dione,1-2r,3r,5s-3-hydroxy-5-hydroxymethyl tetrahydrofuran-2-yl pyrimidine-2,4-dione,3-deoxyuridine,1-2r,3r,5s-3-hydroxy-5-hydroxymethyl oxolan-2-yl-3h-pyrimidine-2,4-dione,uridine, 3/'-deoxy,1-2r,3r,5s-3-hydroxy-5-hydroxymethyl oxolan-2-yl pyrimidine-2,4-dione PubChem CID: 145984 IUPAC Name: 1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione SMILES: C1C(OC(C1O)N2C=CC(=O)NC2=O)CO

PubChem CID 145984
CAS 7057-27-4
Molecular Weight (g/mol) 228.204
MDL Number MFCD00079153
SMILES C1C(OC(C1O)N2C=CC(=O)NC2=O)CO
Synonym 3'-deoxyuridine,uridine, 3'-deoxy,1-2r,3r,5s-3-hydroxy-5-hydroxymethyl tetrahydrofuran-2-yl pyrimidine-2,4 1h,3h-dione,1-2r,3r,5s-3-hydroxy-5-hydroxymethyl tetrahydrofuran-2-yl pyrimidine-2,4-dione,3-deoxyuridine,1-2r,3r,5s-3-hydroxy-5-hydroxymethyl oxolan-2-yl-3h-pyrimidine-2,4-dione,uridine, 3/'-deoxy,1-2r,3r,5s-3-hydroxy-5-hydroxymethyl oxolan-2-yl pyrimidine-2,4-dione
IUPAC Name 1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI Key QOXJRLADYHZRGC-SHYZEUOFSA-N
Molecular Formula C9H12N2O5
72

Thermo Scientific Chemicals 2'-Fluoro-2'-deoxycytidine, 99%

CAS: 10212-20-1 Molecular Formula: C9H12FN3O4 Molecular Weight (g/mol): 245.21 MDL Number: MFCD00057445 InChI Key: NVZFZMCNALTPBY-XVFCMESISA-N Synonym: 2'-deoxy-2'-fluorocytidine,2'-fluoro-2'-deoxycytidine,4-amino-1-2r,3r,4r,5r-3-fluoro-4-hydroxy-5-hydroxymethyl oxolan-2-yl pyrimidin-2-one,cytidine, 2'-deoxy-2'-fluoro,unii-lcy080jpy9,2-deoxy-2-fluorocytidine,lcy080jpy9,2'-fc,2'-fluoro-d-cytidine PubChem CID: 101507 IUPAC Name: 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)F

PubChem CID 101507
CAS 10212-20-1
Molecular Weight (g/mol) 245.21
MDL Number MFCD00057445
SMILES C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)F
Synonym 2'-deoxy-2'-fluorocytidine,2'-fluoro-2'-deoxycytidine,4-amino-1-2r,3r,4r,5r-3-fluoro-4-hydroxy-5-hydroxymethyl oxolan-2-yl pyrimidin-2-one,cytidine, 2'-deoxy-2'-fluoro,unii-lcy080jpy9,2-deoxy-2-fluorocytidine,lcy080jpy9,2'-fc,2'-fluoro-d-cytidine
IUPAC Name 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
InChI Key NVZFZMCNALTPBY-XVFCMESISA-N
Molecular Formula C9H12FN3O4
73

MP Biomedicals, Inc Adenosine-5'-Diphosphate, MP Biomedicals™

CAS: 58-64-0 Molecular Formula: C10H15N5O10P2 Molecular Weight (g/mol): 427.203 InChI Key: XTWYTFMLZFPYCI-KQYNXXCUSA-N Synonym: adenosine 5'-diphosphate,adenosine diphosphate,adp,adenosine-5'-diphosphate,adenosine pyrophosphate,adenosine 5'-trihydrogen diphosphate,adenosine-diphosphate,adenosine 5'-pyrophosphate,adp nucleotide,5'-adenylphosphoric acid PubChem CID: 6022 ChEBI: CHEBI:16761 IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O

PubChem CID 6022
CAS 58-64-0
Molecular Weight (g/mol) 427.203
ChEBI CHEBI:16761
SMILES C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O
Synonym adenosine 5'-diphosphate,adenosine diphosphate,adp,adenosine-5'-diphosphate,adenosine pyrophosphate,adenosine 5'-trihydrogen diphosphate,adenosine-diphosphate,adenosine 5'-pyrophosphate,adp nucleotide,5'-adenylphosphoric acid
IUPAC Name [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
InChI Key XTWYTFMLZFPYCI-KQYNXXCUSA-N
Molecular Formula C10H15N5O10P2
74

MP Biomedicals, Inc 5-Iodo-2'-Deoxyuridine, MP Biomedicals™

CAS: 54-42-2 Molecular Formula: C9H11IN2O5 Molecular Weight (g/mol): 354.10 MDL Number: MFCD00134656 InChI Key: XQFRJNBWHJMXHO-RRKCRQDMSA-N Synonym: idoxuridine,5-iodo-2'-deoxyuridine,idoxuridin,5-iododeoxyuridine,iododeoxyridine,iodoxuridine,iudr,joddeoxiuridin,idoxene,allergan 211 PubChem CID: 5905 ChEBI: CHEBI:147675 IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione SMILES: OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(I)C(=O)NC1=O

PubChem CID 5905
CAS 54-42-2
Molecular Weight (g/mol) 354.10
ChEBI CHEBI:147675
MDL Number MFCD00134656
SMILES OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(I)C(=O)NC1=O
Synonym idoxuridine,5-iodo-2'-deoxyuridine,idoxuridin,5-iododeoxyuridine,iododeoxyridine,iodoxuridine,iudr,joddeoxiuridin,idoxene,allergan 211
IUPAC Name 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
InChI Key XQFRJNBWHJMXHO-RRKCRQDMSA-N
Molecular Formula C9H11IN2O5
75

MP Biomedicals, Inc Coenzyme A Trilithium Salt Dihydrate, MP Biomedicals™

CAS: 18439-24-2 Molecular Formula: C21H33Li3N7O16P3S Molecular Weight (g/mol): 785.329 InChI Key: QSCBPHBAFBVXRK-UHFFFAOYSA-K Synonym: coenzyme a, trilithium salt PubChem CID: 53442190 IUPAC Name: trilithium;[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate SMILES: [Li+].[Li+].[Li+].CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)[O-])C(C(=O)NCCC(=O)NCCS)O

PubChem CID 53442190
CAS 18439-24-2
Molecular Weight (g/mol) 785.329
SMILES [Li+].[Li+].[Li+].CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)[O-])C(C(=O)NCCC(=O)NCCS)O
Synonym coenzyme a, trilithium salt
IUPAC Name trilithium;[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
InChI Key QSCBPHBAFBVXRK-UHFFFAOYSA-K
Molecular Formula C21H33Li3N7O16P3S