Cyclochlorotine

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	BVRQNGBSIAKFAI-LDZHDPLISA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C24H31Cl2N5O7/c1-2-14-21(35)30-22(36)16(10-32)27-15(12-6-4-3-5-7-12)8-18(34)28-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)29-14/h3-7,13-17,19-20,27,32-33H,2,8-11H2,1H3,(H,28,34)(H,29,37)(H,30,35,36)/t13?,14-,15+,16-,17-,19?,20-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string	[H][C@]12C(=O)N[C@@H](CC)C(=O)NC(=O)[C@H](CO)N[C@@H](c3ccccc3)CC(=O)N[C@@H](CO)C(=O)N1CC(Cl)C2Cl
Molecular formula chemrof:molecular_formula	C24H31Cl2N5O7
Molecular mass chemrof:molecular_mass	572.446
Monoisotopic mass chemrof:monoisotopic_mass	571.16005, 571.160054
SMILES string chemrof:smiles_string	CCC1NC(=O)C2C(Cl)C(Cl)CN2C(=O)C(CO)NC(=O)CC(c2ccccc2)NC(CO)C(=O)NC1=O

Where 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=12663-46-6	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82432	enrich_references.chebi_id_link
KEGG	https://www.genome.jp/entry/C19379	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
2906627c-6556-11dd-ad8b-0800200c9a66	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
fe0acd60-3ddc-11dd-ae21-0050c2490048	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
c155ddd3-c118-489f-8c95-532b7e500961	Environmental → Air → Indoor	EF 3.1	kg	2
fe0acd60-3ddc-11dd-ae20-0050c2490048	Environmental → Air → Long-term	EF 3.1	kg	0
fe0acd60-3ddc-11dd-ae22-0050c2490048	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
08a91e70-3ddc-11dd-9b24-0050c2490048	Environmental → Air → Unknown	EF 3.1	kg	2
08a91e70-3ddc-11dd-9b22-0050c2490048	Environmental → Ground → Agricultural	EF 3.1	kg	2
fe0acd60-3ddc-11dd-ae26-0050c2490048	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
08a91e70-3ddc-11dd-9b23-0050c2490048	Environmental → Ground → Unknown	EF 3.1	kg	2
fe0acd60-3ddc-11dd-ae24-0050c2490048	Environmental → Water → Long-term	EF 3.1	kg	0
08a91e70-3ddc-11dd-9b48-0050c2490048	Environmental → Water → Ocean	EF 3.1	kg	2
fe0acd60-3ddc-11dd-ae23-0050c2490048	Environmental → Water → Surface water	EF 3.1	kg	2
fe0acd60-3ddc-11dd-ae25-0050c2490048	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-22fb5f62b5cecaf4",
  "prefLabel": [
    {
      "@value": "Cyclochlorotine",
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      "@lang": "en",
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  "altLabel": [],
  "properties": {
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}

Cyclochlorotine

Identity

Structure

Properties

Known URLs

Elementary flows

History

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