3-oxo-4-azaandrost-5-ene-17-beta-carboxylic Acid

(4aR,4bS,6aS,7S,9aS,9bS)-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-Tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxylic acid
1H-Indeno[5,4-f]quinoline-7-carboxylic acid, 2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS)-
3-Oxo-4-aza-5-androstene-17β-carboxylic acid
4-Azaandrost-5-ene-17-carboxylic acid, 3-oxo-, (17β)-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	WNUUCDPRBZUXGL-UUBMZHIOSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C19H27NO3/c1-18-9-7-13-11(12(18)4-5-14(18)17(22)23)3-6-15-19(13,2)10-8-16(21)20-15/h6,11-14H,3-5,7-10H2,1-2H3,(H,20,21)(H,22,23)/t11-,12-,13-,14+,18-,19+/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string	C[C@]12CC[C@H]3[C@@H](CC=C4NC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O
IUPAC name chemrof:IUPAC_name	(4aR,4bS,6aS,7S,9aS,9bS)-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-Tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxylic acid
Molecular formula chemrof:molecular_formula	C19H27NO3
Molecular mass chemrof:molecular_mass	317.429
Monoisotopic mass chemrof:monoisotopic_mass	317.199094
SMILES string chemrof:smiles_string	CC12CCC(=O)NC1=CCC1C2CCC2(C)C(C(=O)O)CCC12

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=103335-54-2	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.100.929	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.132.754	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID70893628	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UCI904SOZG	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/475447	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=085958	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q27291022	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
6434ad32-68ab-469d-aa3e-9d1bc64047f7	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
d552924a-8064-4e0f-b995-8cb7e33bae19	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
b352ca44-0f70-4813-9c26-7342788deb15	Environmental → Air → Indoor	EF 3.1	kg	2
f2b7e76a-81b5-4783-8a9b-69cb8be30227	Environmental → Air → Long-term	EF 3.1	kg	0
3901e82a-6ee6-40f9-b6aa-2273f83b289e	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
7863bbdb-7ab4-479e-bcfd-e8a9a5bd6516	Environmental → Air → Unknown	EF 3.1	kg	2
fdda69ba-a030-4f1f-9b09-6126fab2e17c	Environmental → Ground → Agricultural	EF 3.1	kg	2
02a16610-1d9a-4281-977c-6fa8ca0fa570	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
952a4c19-9228-4a8d-9ea5-c41429b6edfa	Environmental → Ground → Unknown	EF 3.1	kg	2
a85b2f5d-8c06-4805-a77e-7aef33aa5668	Environmental → Water → Long-term	EF 3.1	kg	0
b5a4e386-ce55-4a6c-8019-317efaa25bbc	Environmental → Water → Ocean	EF 3.1	kg	2
5d28d7eb-49aa-4931-9d5a-402f9b0e1c6e	Environmental → Water → Surface water	EF 3.1	kg	2
80f9a1c9-64c6-4ae8-bc48-b90895ea051d	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

{
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      "@value": "3-oxo-4-azaandrost-5-ene-17-beta-carboxylic Acid",
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      "rdfs:seeAlso": [
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

3-oxo-4-azaandrost-5-ene-17-beta-carboxylic Acid

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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