A database of the known 3D structures of proteins and nucleic acids
List of Het Groups ( 172 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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1 | 101 List of pairs

..Id

Formula
Description
No_of_PDB. entries

O16
   C24H16N7O2S   3- (1,3- BENZOTHIAZOL- 2- YL)- 2- (1,4- DIOXO- 1,2,3,4- TETRAHYDROPHTHALAZIN- 6- YL)- 5- [(E)- 2- PHENYLVINYL]- 3H- TETRAAZOL- 2- IUM   1

O1C
   C30H50O4   2ALPHA- (3- HYDROXYPROPYL)- 1ALPHA,25- DIHYDROXYVITAMIN D3   1

O2C
   C9H14N3O7P   3'- DEOXY- CYTIDINE- 5'- MONOPHOSPHATE   2

O33
   C40H45N5O7S2   (4R)- N- [(1S,2R)- 2- HYDROXY- 2,3- DIHYDRO- 1H- INDEN- 1- YL]- 3- [(2S,3S)- 2- HYDROXY- 3- ({N- [(ISOQUINOLIN- 5- YLOXY)ACETYL]- S- METHYL- L- CYSTEINYL}AMINO)- 4- PHENYLBUTANOYL]- 5,5- DIMETHYL- 1,3- THIAZOLIDINE- 4- CARBOXAMIDE   1

O4M
   H8O4MN   MANGANESE TETRAHYDRATE ION   2

OAA
   C4H3O5   OXALOACETATE ION   25

OAC
   C10H12O3   TRANS- O- HYDROXY- ALPHA- METHYL CINNAMATE   1

OAD
   C17H25N5O15P2   2'- O- ACETYL ADENOSINE- 5- DIPHOSPHORIBOSE   3

OAI
   C11H8N2O5   6- (OXALYL- AMINO)- 1H- INDOLE- 5- CARBOXYLIC ACID   1

OAL
   C16H10O6   (1,8- DIHYDROXY- 9,10- DIOXO- 9,10- DIHYDRO- ANTHRACEN- 2- YL)- ACETIC ACID   1

OAN
   C15H19N3O7   O- (2- ACETAMIDO- 2- DEOXY D- GLUCOPYRANOSYLIDENE) AMINO- N- PHENYLCARBAMATE   2

OAP
   C31H37NO3S   4- (S)- [(1- OXO- 7- PHENYLHEPTYL)AMINO]- 5- [4- (PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID   1

OAR
   C6H16N4O   N- (4- AMINO- 5- HYDROXY- PENTYL)- GUANIDINE   1

OAS
   C5H9NO4   O- ACETYLSERINE   2

OBA
   C9H7NO5   2- (OXALYL- AMINO)- BENZOIC ACID   1

OBE
   C16H19NO5   3- (3- HYDROXY- BENZOYLOXY)- 8- METHYL- 8- AZA- BICYCLO[3.2.1]OCTANE- 2- CARBOXYLIC ACID   1

OBI
   C14H16N4O3   1,1'- (OXYDIMETHYLENE)BIS(4- FORMYLPYRIDINIUM)DIOXIME   1

OBN
   C29H44O12   OUABAIN   1

OBP
   C12H10O3S   2'- HYDROXY- 1,1'- BIPHENYL- 2- SULFINIC ACID   1

OBS
   C16H27N2O7S   (Z)- N^6- [(4S,5R)- 5- (2- CARBOXYETHYL)- 4- (CARBOXYMETHYL)- 1- HYDROXYDIHYDRO- 2H- THIOPYRANIUM- 3(4H)- YLIDENE]- L- LYSINE   1

OC1
   H2OCA   CALCIUM ION, 1 WATER COORDINATED   10

OC2
   H4O2CA   CALCIUM ION, 2 WATERS COORDINATED   7

OC3
   H6O3CA   CALCIUM ION, 3 WATERS COORDINATED   4

OC4
   H8O4CA   CALCIUM ION, 4 WATERS COORDINATED   7

OC5
   H10O5CA   CALCIUM ION, 5 WATERS COORDINATED   5

OC6
   H12O6CA   CALCIUM ION, 6 WATERS COORDINATED   5

OC7
   H14O7CA   CALCIUM ION, 7 WATERS COORDINATED   7

OC8
   H16O8CA   CALCIUM ION, 8 WATERS COORDINATED   2

OC9
   C8H18O   OCTAN- 1- OL   1

OCA
   C8H16O2   OCTANOIC ACID (CAPRYLIC ACID)   7

OCB
   C15H30NO4   OCTANOYLCARNITINE   1

OCC
   C30H50O5   2ALPHA- (3- HYDROXYPROPOXY)- 1ALPHA,25- DIHYDROXYVITAMIN D3   1

OCH
   C9H7NO   QUINOLIN- 2(1H)- ONE   1

OCL
   H2OCO   COBALT ION, 1 WATER COORDINATED   3

OCM
   H6O3CO   COBALT ION, 3 WATERS COORDINATED   1

OCN
   H4O2CO   COBALT ION, 2 WATERS COORDINATED   4

OCO
   H12O6CO   COBALT ION,6 WATERS COORDINATED   2

OCP
   C29H59N2O7P   OCTYL- PHOSPHINIC ACID 1,2- BIS- OCTYLCARBAMOYLOXY- ETHYL ESTER   2

OCQ
   C8H14N2O3   (3S)- 3- [(2S)- 2- AMINO- 4- HYDROXY- 3- OXOBUTYL]PYRROLIDIN- 2- ONE   1

OCS
   C3H7NO5S   CYSTEINESULFONIC ACID   48

OCT
   C8H18   N- OCTANE   20

OCV
   C14H24N2O7S   N6- [(1R)- 2- {[(1R)- 1- CARBOXY- 2- METHYLPROPYL]OXY}- 1- (MERCAPTOMETHYL)- 2- OXOETHYL]- 6- OXO- D- LYSINE   1

OCY
   C5H11NO3S   HYDROXYETHYLCYSTEINE   3

ODA
   C10H15N3O4   9- AMINO- 6,10- DIOXO- OCTAHYDRO- PYRIDAZINO[1,2- A][1,2]DIAZEPINE- 1- CARBOXYLIC ACID   1

ODD
   C18H32O2   (10E,12Z)- OCTADECA- 10,12- DIENOIC ACID   1

ODI
   C8H18O2   OCTANE- 1,8- DIOL   1

ODP
   H28C21N7O18P3   4- OXO- NICOTINAMIDE- ADENINE DINUCLEOTIDE PHOSPHATE   2

ODS
   C6H11N2O   4- METHYLPIPERAZIN- 1- YL CARBONYL GROUP   2

ODT
   C18H30O2   (11E,13E,15Z)- OCTADECA- 11,13,15- TRIENOIC ACID   1

OEC
   O4CAMN4   OXYGEN EVOLVING SYSTEM   1
OEC * CAMN4O4   OXYGEN EVOLVING SYSTEM   1
OEF * C18H18BR2O4   3,5- DIBROMO- 4- (3- ISOPROPYL- PHENOXY)BENZOIC ACID   1

OES
   C10H22O2S   N- OCTYL- 2- HYDROXYETHYL SULFOXIDE   4

OET
   C2H5   ETHYL GROUP   2

OF1
   H2OFE   FERROUS ION, 1 WATER COORDINATED   13

OF2
   H2OFE2   2 FERRIC ION, 1 WATER COORDINATED   1

OF3
   H2OFE   FERRIC ION, 1 WATER COORDINATED   6
OFF * C23H20O10   2- DEOXY- 3,4- BIS- O- [3- (4- HYDROXYPHENYL)PROPANOYL]- L- THREO- PENTARIC ACID   1

OFL
   C14H10NO2F3   O- TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID   1

OFO
   HO2FE2   HYDROXY DIIRON- OXO MOIETY   1

OGA
   C4H5NO5   N- OXALYOLGLYCINE   10

OGG
   C6H12N2O4   2- (2- CARBAMOYLMETHOXY- ETHOXY)- ACETAMIDE   1

OHA
   C16H30O3   10- OXOHEXADECANOIC ACID   1

OHE
   C2H5O   HYDROXYETHYL GROUP   4

OHH
   C40H35N2O6P   2- [3- ({METHYL[1- (2- NAPHTHOYL)PIPERIDIN- 4- YL]AMINO}CARBONYL)- 2- NAPHTHYL]- 1- (1- NAPHTHYL)- 2- OXOETHYLPHOSPHONIC ACID   2

OHM
   C16H28N2O3   3- OXO- N- [(3S)- 2- OXOPYRROLIDIN- 3- YL]DODECANAMIDE   1

OHN
   C16H27NO4   N- 3- OXO- DODECANOYL- L- HOMOSERINE LACTONE   1

OHO
   C7H13NO2   CYCLOHEXANE AMINOCARBOXYLIC ACID   1

OHP
   C8H8O3   (2- HYDROXYPHENYL)ACETIC ACID   1

OHS
   C5H5NO6S   O- (CARBOXYSULFANYL)- 4- OXO- L- HOMOSERINE   1

OHT
   C26H29NO2   4- HYDROXYTAMOXIFEN   9

OI1
   C32H35N3O5   3- (4- HYDROXYBENZYL)- 2- [1- ({[2- (4- HYDROXYPHENYL)ETHYL]AMINO}CARBONYL)BUTYL]- 4- OXO- 3,6,11,11A- TETRAHYDRO- 4H- PYRAZINO[1,2- B]ISOQUINOLIN- 2- IUM- 1- OLATE   1

OIC
   C9H15NO2   OCTAHYDROINDOLE- 2- CARBOXYLIC ACID   1

OIN
   C17H23NO3   (1R,5S)- 8- METHYL- 8- AZABICYCLO[3.2.1]OCT- 3- YL (2R)- 3- HYDROXY- 2- PHENYLPROPANOATE   2

OIP
   C10H13N4O7P   2'- DEOXY- INOSINIC ACID   2

OIR
   C21H24N2O4S   N- (3- PHENYL- 2- SULFANYLPROPANOYL)PHENYLALANYLALANINE   1

OIS
   C34H46N6O6S2   (S)- N- ((2S,3R)- 3- HYDROXY- 4- (4- ((E)- (HYDROXYIMINO)METHYL)- N- ISOBUTYLPHENYLSULFONAMIDO)- 1- PHENYLBUTAN- 2- YL)- 3- METHYL- 2- (3- ((2- METHYLTHIAZOL- 4- YL)METHYL)- 2- OXOIMIDAZOLIDIN- 1- YL)BUTANAMIDE   1

OKA
   C44H68O13   OKADAIC ACID   3

OLA
   C18H34O2   OLEIC ACID   23

OLE
   C6H12O3   2- HYDROXY- 4- METHYL- PENTANOIC ACID   1

OLI
   C18H34O2   OLEIC ACID   3

OLN
   C8H15N3O4   (S)- 2- ACETAMIDO- 5- UREIDOPENTANOIC ACID   1

OLO
   C15H18N6O   OLOMOUCINE   2

OLP
   C16H19N6OCL   2- (2- HYDROXYETHYLAMINO)- 6- (3- CHLOROANILINO)- 9- ISOPROPYLPURINE   1

OLT
   C5H11NO3   O- METHYL- L- THREONINE   2

OLU
   C10H6N2O2S2   2- (6- HYDROXY- 1,3- BENZOTHIAZOL- 2- YL)- 1,3- THIAZOL- 4(5H)- ONE   1

OMB
   CH2O   OXYMETHYLENE BRIDGING GROUP   1

OMC
   C10H16N3O8P   O2'- METHYLYCYTIDINE- 5'- MONOPHOSPHATE   62
OMC * C10H16N3O8P   O2'- METHYLYCYTIDINE- 5'- MONOPHOSPHATE   1

OMD
   C8H8O4   2- (3,6- DIHYDROXYPHENYL)ACETIC ACID   1

OME
   CH3O   METHOXY GROUP   12

OMG
   C11H16N5O8P   O2'- METHYLGUANOSINE- 5'- MONOPHOSPHATE   66
OMG * C11H16N5O8P   O2'- METHYLGUANOSINE- 5'- MONOPHOSPHATE   1

OMN
   C12H6N2O2BRCLF4   4- BROMO- 3- (5'- CARBOXY- 4'- CHLORO- 2'- FLUOROPHENYL)- 1- METHYL- 5- TRIFLUOROMETHYL- PYRAZOL   1

OMO
   H2O3MO   MO(VI)(=O)(OH)2 CLUSTER   2

OMP
   C10H13N2O11P   OROTIDINE- 5'- MONOPHOSPHATE   2

OMT
   C5H11NO4S   S- DIOXYMETHIONINE   13

OMU
   C10H15N2O9P   O2'- METHYLURIDINE 5'- MONOPHOSPHATE   32
OMU * C10H15N2O9P   O2'- METHYLURIDINE 5'- MONOPHOSPHATE   1

ONA
   C18H23N6O14P3   3'- O- [2- (METHYLAMINO)BENZOYL]ADENOSINE 5'- (TETRAHYDROGEN TRIPHOSPHATE)   1
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