D-mannitol
fo-ba03ed75dd336f7c
Identity
- Type
- Neutral molecule
- CAS
- 69-65-8
- EC
- 200-711-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
57- (2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol
- (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
- Brightmoon
- Bronchitol
- Cordycepic acid
- D-(-)-Mannitol
- D-Mannit
- Diosmol
- dulcite
- E421
- Granitol S
- Granutol F
- Granutol R
- Granutol S
- Isotol
- Manicol
- Maniton S
- manna sugar
- Mannidex
- Mannigen
- Mannistol
- Mannit
- Mannit 60
- Mannit P
- Mannit Q
- Mannit S
- mannite
- Mannitol
- Mannitol 25C
- Mannitol 300DC
- Mannitol 35
- Mannitol 60
- Mannitol P 60
- Mannitol SD 200
- Mannitol, D-
- Mannitolum
- Mannogem EZ
- Marine Crystal
- Osmitrol
- Osmosal
- Parteck Delta M
- Parteck M 100
- Parteck M 200
- Parteck M 300
- Partek M
- Pearlitol
- Pearlitol 100SD
- Pearlitol 200SD
- Pearlitol 25C
- Pearlitol 50C
- Pearlitol PF
- Pearlitol SD 100
- Perlitol SD 200
- Perteck M
- PharmMannidex
- PharmMannidex 16701
- Resectisol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | FBPFZTCFMRRESA-KVTDHHQDSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |
| IUPAC name chemrof:IUPAC_name | D-mannitol |
| Molecular formula chemrof:molecular_formula | C6H14O6 |
| Molecular mass chemrof:molecular_mass | 182.172 |
| Monoisotopic mass chemrof:monoisotopic_mass | 182.079038, 182.07904 |
| SMILES string chemrof:smiles_string | OCC(O)C(O)C(O)C(O)CO |
Known URLs
50Where 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 |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=69-65-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16899 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.647 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.610 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1023235 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID30858955 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00742 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00742 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:935 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/935 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL689 | enrich_references.pubchem_identifier_url |
| glycosmos.org | https://glycosmos.org/glycans/show/G51661YR | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:83161 | enrich_references.chebi_xrefs |
| gnome.glyomics.org | https://gnome.glyomics.org/StructureBrowser.html?focus=G51661YR | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3OWL53L36A | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0000765 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2905.43.00.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.369H | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C00392 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00062 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C00392 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00062 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00001165 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37414 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=MANNITOL | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C625 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:MTL | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL689 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6251 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11784135 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12646037 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15658873 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15863337 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16854081 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16901854 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17336832 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17420133 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17827020 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17973471 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17979222 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17983214 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18207412 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18220330 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22770225 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24643482 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25108762 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1721898 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/6628 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q407646 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Mannitol | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 53a18200-24ba-4d67-8d31-edf2ead0e381 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 52380fdd-763f-4bfd-a61a-140a56f76c59 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| 1dd478b1-3086-4612-9a4c-ce6961e19249 | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| ad8e0afb-cd71-4b88-8849-11a880e18bf4 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| cb50d304-b041-4e03-9220-5c0d650933b4 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 6d3be359-bb6c-40b4-bc46-3e5df317ad3b | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| a781f072-b5c2-4e4d-8c41-562fec1a7b83 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| bb031193-084f-43f3-aa68-5355fbe2d709 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 26d87806-b163-4286-bfa0-16ac24d4407b | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 74caee8c-cd33-4611-b33a-b450d663440c | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| dcd45e83-10d8-4cae-87d6-f37c9096c86f | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 043e84ec-2697-47c9-aeb5-74d000d917f4 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| f1a37599-ab94-4342-93e6-34a368c08ca2 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-ba03ed75dd336f7c",
"prefLabel": [
{
"@value": "D-mannitol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
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"prov:hadPrimarySource": [
"EF 3.1",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_16899"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Brightmoon",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69-65-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=69-65-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bronchitol",
"@language": "en",
"@lang": "en",
"provenance": {
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"https://commonchemistry.cas.org/detail?cas_rn=69-65-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cordycepic acid",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "D-(-)-Mannitol",
"@language": "en",
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"provenance": {
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],
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}
},
{
"@value": "D-Mannit",
"@language": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diosmol",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "dulcite",
"@language": "en",
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"provenance": {
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "E421",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:hadPrimarySource": [
"EF 3.1",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Granitol S",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69-65-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=69-65-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Granutol F",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69-65-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=69-65-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Granutol R",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69-65-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=69-65-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Granutol S",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69-65-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=69-65-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Isotol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69-65-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=69-65-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Manicol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69-65-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=69-65-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Maniton S",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69-65-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=69-65-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "manna sugar",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
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"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_16899"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Mannidex",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69-65-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=69-65-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Mannigen",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69-65-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=69-65-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Mannistol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69-65-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=69-65-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Mannit",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69-65-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=69-65-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Mannit 60",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69-65-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=69-65-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Mannit P",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69-65-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=69-65-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Mannit Q",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69-65-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=69-65-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Mannit S",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69-65-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=69-65-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "mannite",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_16899"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Mannitol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_16899"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Mannitol 25C",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69-65-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=69-65-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Mannitol 300DC",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69-65-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=69-65-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Mannitol 35",
"@language": "en",
"@lang": "en",
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