Erythromycin
fo-39c6c7dede6a8304
Identity
- Type
- Neutral molecule
- CAS
- 114-07-8
- EC
- 204-040-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 59 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
What it is used for
1
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| environmental contaminant CHEBI:78298 | Any minor or unwanted substance introduced into the environment that can have undesired effects. | ChEBI |
Alternative labels
49- (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
- (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
- 3''-O-demethylerythromycin
- [3R-(3R*,4S*,5S*,6R*,7R*,9R*,11R*,12R*,13S*,14R*)]-4-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]oxacyclotetradecane-2,10-dione
- Abboticin
- Abomacetin
- Ak-Mycin
- Aknin
- Dotycin
- E-Base
- E-Mycin
- Emgel
- EMU
- Eritrex
- Eritromed
- eritromicina
- Ermycin
- erthromycin
- ERYC
- Erycen
- Erycette
- Erycin
- Erycinum
- EryDerm
- Erygel
- Erymax
- Erytab
- Erythro
- Erythrocin
- Erythrogran
- Erythromast 36
- Erythromid
- ERYTHROMYCIN A
- Erythromycin C
- erythromycine
- erythromycinum
- Ilotycin
- Inderm
- MeSH ID: D004917
- Oxacyclotetradecane, erythromycin deriv.
- Oxacyclotetradecane-2,10-dione, 4-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, [3R-(3R*,4S*,5S*,6R*,7R*,9R*,11R*,12R*,13S*,14R*)]-
- Pantomicina
- Retcin
- Staticin
- Stiemycin
- T-Stat
- Theramycin Z
- Torlamicina
- Vetwic
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ULGZDMOVFRHVEP-RWJQBGPGSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |
| IUPAC name chemrof:IUPAC_name | (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione |
| Molecular formula chemrof:molecular_formula | C37H67NO13 |
| Molecular mass chemrof:molecular_mass | 733.937 |
| Monoisotopic mass chemrof:monoisotopic_mass | 733.46124, 733.461241 |
| SMILES string chemrof:smiles_string | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O |
Known URLs
39Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| beilstein | beilstein:75000 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=114-07-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:42355 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.673 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.126.671 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4022991 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00199 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00199 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1048 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1048 | enrich_references.pubchem_identifier_url |
| drugcentral.org | https://drugcentral.org/drugcard/3875 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=756759 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL532 | enrich_references.pubchem_identifier_url |
| glycosmos.org | https://glycosmos.org/glycans/show/G42935TE | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/63937KV33D | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0014344 | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2941.50.00.00 | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C01912 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00140 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C01912 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00140 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-3416 | enrich_references.chebi_xrefs |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMPK04000006 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMPK04000006 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=21279 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-13804 | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C476 | enrich_references.pubchem_identifier_url |
| patent | patent:US2823203 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:ERY | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA449493 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/J34G79Q8MHCV | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL532 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/12560 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=007674 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=110807 | enrich_references.pubchem_identifier_url |
| reaxys | reaxys:75279 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/4053 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q213511 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Erythromycin | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 647bcf18-5c82-4621-b71d-5b71279d6f60 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 8a995d4f-6344-4ed1-8c95-09a9a40b3633 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| f0862d6a-8310-4d65-b815-176d7f866384 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 1303211f-c0b4-4f01-82a3-b2957392ed2f | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 6b69431b-ed58-488b-9d05-6927ebc82528 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 1a0fa325-c6c1-4356-bdf2-da4aac122d54 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 88478c4d-f67f-451b-b83a-16c44c9ceb50 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 692235c0-d236-4bd4-a9ca-39b89828baeb | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 77b63150-7b9c-41f7-9695-bad328ee3282 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 5139153b-a78a-4e0d-be43-bc27f6971913 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 96ba5865-ec04-4165-a279-d35bb2780159 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 0f59d938-da49-43fe-b9b2-29ecb703702a | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 7b662438-dd3d-4bad-a809-d8308b08a2b8 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (59 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-39c6c7dede6a8304",
"prefLabel": [
{
"@value": "Erythromycin",
"@language": "en",
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],
"altLabel": [
{
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},
{
"@value": "(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione",
"@language": "en",
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],
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}
},
{
"@value": "3''-O-demethylerythromycin",
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},
{
"@value": "[3R-(3R*,4S*,5S*,6R*,7R*,9R*,11R*,12R*,13S*,14R*)]-4-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]oxacyclotetradecane-2,10-dione",
"@language": "en",
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},
{
"@value": "Abboticin",
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},
{
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},
{
"@value": "Ak-Mycin",
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},
{
"@value": "Aknin",
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}
},
{
"@value": "Dotycin",
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},
{
"@value": "E-Base",
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},
{
"@value": "E-Mycin",
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],
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}
},
{
"@value": "Emgel",
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],
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}
},
{
"@value": "EMU",
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],
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}
},
{
"@value": "Eritrex",
"@language": "en",
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}
},
{
"@value": "Eritromed",
"@language": "en",
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],
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}
},
{
"@value": "eritromicina",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Ermycin",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=114-07-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "erthromycin",
"@language": "en",
"@lang": "en",
"provenance": {
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"http://purl.obolibrary.org/obo/CHEBI_42355"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "ERYC",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:114-07-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=114-07-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Erycen",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:114-07-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=114-07-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Erycette",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:114-07-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=114-07-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Erycin",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:114-07-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=114-07-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Erycinum",
"@language": "en",
"@lang": "en",
"provenance": {
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