ISO/TS 19844:2016

TECHNICAL ISO/TS
SPECIFICATION 19844
Second edition
2016-12-15
Health informatics — Identification
of medicinal products —
Implementation guidelines for data
elements and structures for the
unique identification and exchange of
regulated information on substances
Informatique de santé — Identification des médicaments — Lignes
directrices pour la mise en oeuvre des éléments de données et
structures pour l’identification unique et l’échange d’informations
réglementées sur les substances
Reference number
ISO/TS 19844:2016(E)
©
ISO 2016

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ISO/TS 19844:2016(E)

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ii © ISO 2016 – All rights reserved

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ISO/TS 19844:2016
Contents
1 Scope .1
2 Normative references .2
3 General background and history .2
4 Substance (Mandatory) .3
4.1 General .3
4.2 Defining substances .5
4.2.1 Substance type (Mandatory) .7
4.2.2 Substance ID (Mandatory) . 10
4.3 Substance names (Mandatory) . 11
4.3.1 Substance name . 12
4.3.2 Substance name type . 13
4.3.3 Language . 14
4.3.4 Official name (Conditional. 14
4.4 Reference source (Conditional) . 17
4.4.1 Public domain . 17
4.4.2 Reference source type . 18
4.4.3 Reference source class . 18
4.4.4 Reference source ID . 19
4.4.5 Reference source citation . 19
4.5 Reference source document (Conditional) . 19
4.5.1 Public domain . 19
4.5.2 Reference source document . 20
4.5.3 Reference source document type . 20
4.5.4 Reference source document ID . 21
4.5.5 Reference source document classification . 21
4.5.6 Reference source document URL . 21
4.6 Substance code (Conditional) . 21
4.6.1 Code . 22
4.6.2 Code system . 22
4.6.3 Code system ID . 23
4.6.4 Code system status . 23
4.6.5 Code change date . 24
4.6.6 Comment . 24
4.6.7 Reference source . 24
4.7 Reference information (Conditional) . 24
4.7.1 Comment . 25
4.7.2 Substance classification (Conditional). 25
4.7.3 Substance relationship (Conditional) . 28
4.7.4 Target (Conditional) . 30
4.7.5 Gene (Conditional) . 33
4.7.6 Gene element (Conditional) . 35
4.8 Structure . 36
4.8.1 Structural Representation (Conditional) . 36
4.8.2 Stereochemistry . 42
4.8.3 Optical activity . 43
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ISO/TS 19844:2016
4.8.4 Molecular Formula . 44
4.8.5 Molecular Formula by Moiety . 44
4.8.6 Molecular weight (Mandatory) . 44
4.8.7 Isotope (Conditional) . 44
4.9 Amount (Conditional) . 46
4.9.1 Average . 46
4.9.2 Low limit . 47
4.9.3 High limit . 47
4.9.4 Unit . 47
4.9.5 Non-numeric Value . 48
4.9.6 Reference Source (Conditional) . 48
4.9.7 Reference source document (Conditional) . 48
4.10 Source material (Conditional) . 48
4.10.1 Source material class . 49
4.10.2 Source material type . 50
4.10.3 Source material state . 50
4.10.4 Organism ID. 50
4.10.5 Organism name . 51
4.10.6 Parent substance ID . 51
4.10.7 Parent substance name . 51
4.10.8 Development stage . 52
4.10.9 Part Description (CONDITIONAL) . 52
4.10.10 Fraction (Conditional) . 54
4.10.11 Organism (Conditional) . 57
4.11 Modification (Conditional) . 64
4.11.1 Modification type . 66
4.11.2 Residue modified . 66
4.11.3 Residue sites . 66
4.11.4 Structural modification (Conditional) . 67
4.11.5 Agent modification (Conditional) . 69
4.11.6 Physical Modification (Conditional) . 70
4.12 Property (Conditional) . 72
4.12.1 Property type . 72
4.12.2 Property name . 73
4.12.3 Property parameters . 73
4.12.4 Substance ID . 73
4.12.5 Substance name . 74
4.12.6 Amount type (Mandatory) . 74
4.13 Version (Mandatory) . 74
4.13.1 Version number . 74
4.13.2 Effective date . 75
4.13.3 Change made . 75
5 Substance definitions . 75
5.1 Chemical substance . 75
5.1.1 Comment . 76
5.1.2 Structure . 77
5.1.3 Stoichiometric/Non-stoichiometric chemicals . 77
5.1.4 Stoichiometric chemicals . 78
5.1.5 Non-stoichiometric chemicals (Conditional) . 81
5.1.6 Substance Name (Mandatory) . 83
5.1.7 Substance Code (Conditional). 83
5.1.8 Version (Mandatory) . 83
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ISO/TS 19844:2016
5.1.9 Reference information . 83
5.1.10 Reference source (Conditional) . 83
5.1.11 Reference source document (Conditional) . 83
5.2 Proteins/peptides . 83
5.2.1 Microheterogeneity . 84
5.2.2 Sequence type . 86
5.2.3 Number of subunits. 86
5.2.4 Disulfide linkage . 86
5.2.5 Comment . 87
5.2.6 Protein subunit (Mandatory) . 87
5.2.7 Molecular weight (Conditional) . 90
5.2.8 Glycosylation (Conditional) . 91
5.2.9 Property (Conditional) . 92
5.2.10 Structure (Mandatory) . 93
5.2.11 Substance name (Mandatory) . 93
5.2.12 Modification (Conditional) . 93
5.2.13 Substance code (Conditional) . 93
5.2.14 Source material (Conditional) . 93
5.2.15 Version (Mandatory) . 93
5.2.16 Reference information (Conditional) . 93
5.2.17 Reference source (Conditional) . 93
5.2.18 Reference source document (Conditional) . 93
5.3 Nucleic acids . 93
5.3.1 Structure (Conditional) . 94
5.3.2 Sequence type . 95
5.3.3 Number of subunits. 95
5.3.4 Area of hybridisation. 96
5.3.5 Comment . 96
5.3.6 Nucleic acid subunit (Mandatory) . 96
5.3.7 Modification (Conditional) . 100
5.3.8 Property (Conditional) . 100
5.3.9 Molecular weight (Conditional) . 101
5.3.10 Substance Name (Mandatory) . 101
5.3.11 Substance Code (Conditional) . 101
5.3.12 Version (Mandatory) . 101
5.3.13 Reference information (Conditional) . 101
5.3.14 Reference source (Conditional) . 101
5.3.15 Reference source document (Conditional) . 101
5.4 Polymers . 101
5.4.1 Polymer class . 103
5.4.2 Polymer geometry . 103
5.4.3 Copolymer sequence type . 103
5.4.4 Comment . 103
5.4.5 Substance name (Mandatory) . 103
5.4.6 Structure (Mandatory) . 104
5.4.7 Monomer description (Conditional) . 104
5.4.8 Structural repeat (Conditional) . 105
5.4.9 Molecular weight (Mandatory) . 108
5.4.10 Property (Conditional) . 108
5.4.11 Substance code (Conditional) . 108
5.4.12 Version (Mandatory) . 108
5.4.13 Reference information (Conditional) . 108
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ISO/TS 19844:2016
5.4.14 Modification (Conditional) . 108
5.4.15 Source material (Conditional) . 109
5.4.16 Reference source (Conditional) . 109
5.4.17 Reference source document (Conditional) . 109
5.5 Structurally diverse substances. 109
5.5.1 Comment . 110
5.5.2 Substance name (Mandatory) . 110
5.5.3 Structure (Mandatory) . 110
5.5.4 Property (Conditional) . 110
5.5.5 Molecular weight . 111
5.5.6 Glycosylation (Conditional) . 111
5.5.7 Modification (Conditional) . 111
5.5.8 Source material (Conditional) . 111
5.5.9 Substance code (Conditional) . 111
5.5.10 Reference information (Conditional) . 111
5.5.11 Version (Mandatory) . 111
5.5.12 Reference source (Conditional) . 111
5.5.13 Reference source document (Conditional) . 111
5.5.14 Herbals and substances used in the preparation of plant-based allergenic extracts . 111
5.5.15 Vaccines . 114
5.5.16 Plasma-derived substance for human blood products and polyclonal antibodies . 114
5.5.17 Allergens. 114
5.5.18 Advance Therapies and Advanced Vaccines (Genes, Modified Viruses, Cells and
Tissues as Substances) . 115
5.5.19 Minerals . 115
5.6 Mixture substance . 116
5.6.1 Mixture type . 116
5.6.2 Mixture constituent (Mandatory) . 116
5.6.3 Modification (Conditional) . 117
5.6.4 Source material (Conditional) .
...