A database of the known 3D structures of proteins and nucleic acids
List of Het Groups ( 594 entries )
This list gives all the molecules, or part-molecules, or non-standard residues, defined by HETATM records in the PDB files (excluding waters). Duplicate entries correspond to different molecules having the same 3-letter code. *Het Groups not defined in the PDB's Het Group dictionary.
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..Id

Formula
Description
No_of_PDB. entries

C01
   C25H30NO5   (2S)- (4- ISOPROPYLPHENYL)[(2- METHYL- 3- OXO- 5,7- DIPROPYL- 2,3- DIHYDRO- 1,2- BENZISOXAZOL- 6- YL)OXY]ACETATE   1

C02
   C22H21N5O2S       1

C0M
   C27H28N4O2S   N- {3- CYANO- 6- [3- (1- PIPERIDINYL)PROPANOYL]- 4,5,6,7- TETRAHYDROTHIENO[2,3- C]PYRIDIN- 2- YL}1- NAPHTHALENECARBOXAMIDE   1

C0R
   C21H30O4   CORTICOSTERONE   2

C10
   C22H46O7   HEXAETHYLENE GLYCOL MONODECYL ETHER   1

C11
   C15H33O2P   UNDECYL- PHOSPHINIC ACID BUTYL ESTER   1

C12
   C15H18N3O4   2- (1- AMINO- 2- HYDROXYPROPYL)- 4- (4- HYDROXYBENZYL)- 1- (2- OXOETHYL)- 1H- IMIDAZOL- 5- OLATE   1

C14
   C14H30   TETRADECANE   2

C15
   C17H38NO3S   N- DODECYL- N,N- DIMETHYL- 3- AMMONIO- 1- PROPANESULFONATE   5
C15 * C17H38NO3S   N- DODECYL- N,N- DIMETHYL- 3- AMMONIO- 1- PROPANESULFONATE   1

C1A
   C14H22N8S2       1

C1B
   C26H24N6O7   (2R)- 2- [5- (5- CARBAMIMIDOYL- 1H- BENZOIMIDAZOL- 2- YL)- 6,2'- DIHYDROXY- 5'- UREIDOMETHYL- BIPHENYL- 3- YL]- SUCCINIC ACID   1

C1D
   C20H23N7OCLF2   1- (2- {[(6- AMINO- 2- METHYLPYRIDIN- 3- YL)METHYL]AMINO}ETHYL)- 6- CHLORO- 3- [(2,2- DIFLUORO- 2- PYRIDIN- 2- YLETHYL)AMINO]- 1,4- DIHYDROPYRAZIN- 2- OL   1

C1F
   C12H16O5   3- CARBOXY- 4- METHYL- 5- PROPYL- 2- FURANPROPIONIC   1

C1M
   C7H7N4CL   1- (4- CHLOROPHENYL)- 2,3- DIHYDRO- 1H- TETRAZOLE   1

C1N
   C30H40N3O6F   N- [(BENZYLOXY)CARBONYL]LEUCYL- N~1~- [3- FLUORO- 1- (4- HYDROXYBENZYL)- 2- OXOPROPYL]LEUCINAMIDE   1

C1O
   OCU   CU- O LINKAGE   4

C1P
   C28H37N3O5S   N~2~- (MORPHOLIN- 4- YLCARBONYL)- N~1~- [(1S,2E)- 1- (2- PHENYLETHYL)- 3- (PHENYLSULFONYL)PROP- 2- ENYL]- D- LEUCINAMIDE   1

C1R
   C9H17NO   4- PIPERIDINEBUTYRATE   2

C1X
   C16H26N2O6S   (Z)- N~6~- [(4R,5S)- 5- (2- CARBOXYETHYL)- 4- (CARBOXYMETHYL)DIHYDRO- 2H- THIOPYRAN- 3(4H)- YLIDENE]- L- LYSINE   1

C20
   C31H51N5O5   ACETYL- NH- VAL- CYCLOHEXYL- CH2[NCH2CHOH]CH2- BENZYL- VAL- NH- ACETYL   2

C21
   C5H4O2S   THIOPHENE- 2- CARBOXYLIC ACID   1

C24
   C27H29N7O3   3- ({2- [(4- CARBAMIMIDOYL- PHENYLAMINO)- METHYL]- 3- METHYL- 3H- BENZOIMIDAZOLE- 5- CARBONYL}- PYRIDIN- 2- YL- AMINO)- PROPIONIC ACID ETHYL ESTER   1

C25
   C9H14N3O8P   CYTIDINE- 5'- MONOPHOSPHATE   3

C26
   C8H18O4S   (2R)- 2- ETHYL- 1- HEXANESULFONIC ACID   1

C28
   C19H26N4O4F4S   N- [1- (AMINOMETHYL)CYCLOPROPYL]- 3- (MORPHOLIN- 4- YLSULFONYL)- N~2~- [(1S)- 2,2,2- TRIFLUORO- 1- (4- FLUOROPHENYL)ETHYL]- L- ALANINAMIDE   1

C2A
   C7H8NCL   1- (3- CHLOROPHENYL)METHANAMINE   1

C2C
   CLCU2   CU- CL- CU LINKAGE   2

C2D
   C22H22N5OCL2S   6- CHLORO- 1- (2- {[(5- CHLORO- 1- BENZOTHIEN- 3- YL)METHYL]AMINO}ETHYL)- 3- [(2- PYRIDIN- 2- YLETHYL)AMINO]- 1,4- DIHYDROPYRAZIN- 2- OL   1

C2F
   C20H25N7O6   5- METHYL- 5,6,7,8- TETRAHYDROFOLIC ACID   11

C2G
   C12H21N3O13P2   [CYTIDINE- 5'- PHOSPHATE] GLYCERYLPHOSPHORIC ACID ESTER   1

C2L
   C13H22N3O9P   5- METHYL- 3'- O- METHOXYETHYL CYTIDINE 5'- MONOPHOSPHATE   1

C2M
   C11H10N4CL2   5- (3,4- DICHLOROPHENYL)- 6- METHYLPYRIMIDINE- 2,4- DIAMINE   1

C2N
   C3H6NO2CL   B- CHLORO- D- ALANINE   1

C2O
   OCU2   CU- O- CU LINKAGE   12

C2P
   C9H14N3O8P   CYTIDINE- 2'- MONOPHOSPHATE   2

C2R
   C9H14N3O9P   5- AMINO- 1- (5- O- PHOSPHONO- BETA- D- RIBOFURANOSYL)- 1H- IMIDAZOLE- 4- CARBOXYLIC ACID   3

C2S
   C9H14N3O5PS2   CYTIDINE- 5'- DITHIOPHOSPHORATE   2

C33
   C30H50O3   2ALPHA- PROPYL- 1ALPHA,25- DIHYDROXYVITAMIN D3   1

C39
   C27H47N3O5   N- [(2S,4S,5S,7R)- 4- AMINO- 8- (BUTYLAMINO)- 5- HYDROXY- 7- METHYL- 2- (1- METHYLETHYL)- 8- OXOOCTYL]- 2- (3- METHOXYPROPOXY)BENZAMIDE   1

C3A
   C31H35N5O5   ALLYL {(1S)- 1- [(5- {4- [(2,3- DIHYDRO- 1H- INDEN- 2- YLAMINO)CARBONYL]BENZYL}- 1,2,4- OXADIAZOL- 3- YL)CARBONYL]- 3- PYRROLIDIN- 3- YLPROPYL}CARBAMATE   2

C3D
   C28H31NO2   (5R,6S)- 6- PHENYL- 5- [4- (2- PYRROLIDIN- 1- YLETHOXY)PHENYL]- 5,6,7,8- TETRAHYDRONAPHTHALEN- 2- OL   1

C3M
   C20H22N2O3S       1
C3M *         1

C3O
   C30H50O4   2ALPHA- PROPOXY- 1ALPHA,25- DIHYDROXYVITAMIN D3   1

C3P
   C9H14N3O8P   CYTIDINE- 3'- MONOPHOSPHATE   1

C3S
   C27H46O4S   CHOLEST- 5- EN- 3- YL HYDROGEN SULFATE   2

C3X
   C8H14O6   2,3- EPOXYPROPYL- BETA- D- XYLOSIDE   1

C3Y
   C5H12N2O4S   S- [(1S)- 1- HYDROXY- 1- (HYDROXYAMINO)ETHYL]- L- CYSTEINE   1
C41 * C30H53N3O6   ALISKIREN   1

C48
   C22H26N4O4   N1- (1- DIMETHYLCARBAMOYL- 2- PHENYL- ETHYL)- 2- OXO- N4- (2- PYRIDIN- 2- YL- ETHYL)- SUCCINAMIDE   1

C4A
   C28H33N5O5   ETHYL {(1S)- 5- AMINO- 1- [(5- {4- [(2,3- DIHYDRO- 1H- INDEN- 2- YLAMINO)CARBONYL]BENZYL}- 1,2,4- OXADIAZOL- 3- YL)CARBONYL]PENTYL}CARBAMATE   1

C4H
   C19H27N3O3S2   N- [4- ({[5- (DIMETHYLAMINO)- 1- NAPHTHYL]SULFONYL}AMINO)BUTYL]- 3- SULFANYLPROPANAMIDE   1

C4M
   C20H28N2O4S   N- [(2R,3S)- 3- AMINO- 2- HYDROXY- 4- PHENYLBUTYL]- 4- METHOXY- 2,3,6- TRIMETHYLBENZENESULFONAMIDE   1
C4M *         1

C4P
   C24H29N3O4S   N- [(1R)- 2- (BENZYLSULFANYL)- 1- FORMYLETHYL]- N- (MORPHOLIN- 4- YLCARBONYL)- L- PHENYLALANINAMIDE   1

C4X
   C9H16O6   3,4- EPOXYBUTYL- BETA- D- XYLOSIDE   1

C53
   C9H7N3OS       1

C5A
   C7H11NO4   (1S,3S)- 1- AMINOCYCLOPENTANE- 1,3- DICARBOXYLIC ACID   1

C5B
   C7H11NO4   (1S,3R)- 1- AMINOCYCLOPENTANE- 1,3- DICARBOXYLIC ACID   1

C5C
   C8H15NO2S2   S- CYCLOPENTYL THIOCYSTEINE   1

C5G
   C15H25N3O16P2   [CYTIDINE- 5'- PHOSPHATE]- BETA- GLUCOSYL- PHOSPHORIC ACID ESTER   1

C5M
   C27H33N2O4CLS   N- {(2R,3S)- 3- [(3- CHLOROBENZYL)AMINO]- 2- HYDROXY- 4- PHENYLBUTYL}- 4- METHOXY- 2,3,6- TRIMETHYLBENZENESULFONAMIDE   1
C5M *         9

C5P
   C9H14N3O8P   CYTIDINE- 5'- MONOPHOSPHATE   24

C5X
   C10H18O6   4,5- EPOXYPENTYL- BETA- D- XYLOSIDE   1

C60
   C39H61N5O6S   [[[3- (2- METHYL- PROPANE- 2- SULFONYL)- 1- BENZENYL]- 2- PROPYL]- CARBONYL- HISTIDYL]- AMINO- [CYCLOHEXYLMETHYL]- [2- HYDROXY- 4- ISOPROPYL]- PENTAN- 5- OIC ACID BUTYLAMIDE   1

C61
   C27H48N2O5   (2R,4S,5S,7S)- 5- AMINO- N- BUTYL- 4- HYDROXY- 7- [4- METHOXY- 3- (3- METHOXYPROPOXY)BENZYL]- 2,8- DIMETHYLNONANAMIDE   1

C62
   C14H10N2O5S2   4- {5- [(Z)- (2,4- DIOXO- 1,3- THIAZOLIDIN- 5- YLIDENE)METHYL]FURAN- 2- YL}BENZENESULFONAMIDE   1

C66
   C14H24N6O4   2- AMINOETHYLLYSINE- CARBONYLMETHYLENE- CYTOSINE   1

C6C
   C9H17NO2S2   S- CYCLOHEXYL THIOCYSTEINE   1
C6M *         4

C71
   C23H36N4O5S2   N- [4- (AMINOMETHYL)- 1,1- DIOXIDOTETRAHYDRO- 2H- THIOPYRAN- 4- YL]- 3- (1- METHYLCYCLOPENTYL)- N~2~- [(1E)- N- (PHENYLSULFONYL)ETHANIMIDOYL]- L- ALANINAMIDE   1

C75
   C15H13N3O4S2   4- {5- [(Z)- (2- IMINO- 4- OXO- 1,3- THIAZOLIDIN- 5- YLIDENE)METHYL]- 2- FURYL}- N- METHYLBENZENESULFONAMIDE   1

C78
   C31H42N5O9P   [1- [1- (6- CARBAMOYL- CYCLOHEX- 2- ENYLCARBAMOYL)- CYCLOHEXYLCARBAMOYL]- 2- (4- PHOSPHONOOXY- PHENYL)- ETHYL]- CARBAMIC ACID 3- AMINOBENZYLESTER   1

C7M
   C25H30N6O4CLS   (2S,3R)- N- [5- CHLORO- 2- (2,3- DIHYDRO- 1H- TETRAZOL- 1- YL)BENZYL]- 3- HYDROXY- 4- {[(4- METHOXYPHENYL)SULFONYL]AMINO}- 1- PHENYLBUTAN- 2- AMINIUM   1

C80
   C30H41N3O4   (2S,4S,5R,7R)- 4- AMINO- 8- (BUTYLAMINO)- 5- HYDROXY- 2,7- DIMETHYL- 8- OXOOCTYL 1- BENZYL- 1H- INDOLE- 3- CARBOXYLATE   1

C85
   C14H11N3O4S2   4- {5- [(Z)- (2- IMINO- 4- OXO- 1,3- THIAZOLIDIN- 5- YLIDENE)METHYL]FURAN- 2- YL}BENZENESULFONAMIDE   1

C8E
   C16H34O5   (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE   45

C94
   C15H10N3O4F3S2   4- {5- [(Z)- (2- IMINO- 4- OXO- 1,3- THIAZOLIDIN- 5- YLIDENE)METHYL]FURAN- 2- YL}- 2- (TRIFLUOROMETHYL)BENZENESULFONAMIDE   1

C95
   C15H10N2O4S   4- {5- [(Z)- (2- IMINO- 4- OXO- 1,3- THIAZOLIDIN- 5- YLIDENE)METHYL]FURAN- 2- YL}BENZOIC ACID   1

C96
   C15H13N3O4S2   4- {5- [(1Z)- 1- (2- IMINO- 4- OXO- 1,3- THIAZOLIDIN- 5- YLIDENE)ETHYL]- 2- FURYL}BENZENESULFONAMIDE   1

C99
   C8H13N3O6   {(2R)- 2- [(1S,2R)- 1- AMINO- 2- HYDROXYPROPYL]- 2- HYDROXY- 4,5- DIOXOIMIDAZOLIDIN- 1- YL}ACETIC ACID   1
CA+ *         1

CA1
   C5H10O2   ETHYL PROPIONATE   1

CA2
   C16H22O6   (1S,3R,4R,5S)- 1,3,4- TRIHYDROXY- 5- (3- PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID   1

CA3
   C36H54N9O17P3S   COA- S- TRIMETHYLENE- ACETYL- TRYPTAMINE   1

CA4
   C24H29O4CL   CYPROTERONE ACETATE   1

CA5
   C33H47N9O17BRP3S   COA- S- ACETYL 5- BROMOTRYPTAMINE   1

CAA
   C25H40N7O18P3S   ACETOACETYL- COENZYME A   16
CAA * C25H40N7O18P3S   ACETOACETYL- COENZYME A   1

CAB
   C5H9NO3   4- CARBOXY- 4- AMINOBUTANAL   7

CAC
   C2H6O2AS   CACODYLATE ION   98
CAC * C2H6ASO21-   CACODYLATE ION   7

CAD
   C2H7O2AS   CACODYLIC ACID   14

CAE
   C10H18   CAMPHANE   1

CAF
   C5H12NO3ASS   S- DIMETHYLARSINOYL- CYSTEINE   7

CAG
   C18H23N6O16P3   GUANOSINE 5'- TRIPHOSPHATE P3- [1- (2- NITROPHENYL)ETHYL ESTER]   5

CAH
   C10H16O2   5- EXO- HYDROXYCAMPHOR   1

CAI
   C42H67NO16   CARBOMYCIN A   1
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