5α-androst-16-en-3-one (Q416745)

androstenone (English)

6 October 2016

chemical formula

C₁₉H₂₈O

1 reference

androstenone (English)

20 November 2016

canonical SMILES

CC12CCC3C(C1CC=C2)CCC4C3(CCC(=O)C4)C

1 reference

androstenone (English)

20 November 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@H]4[C@@]3(CCC(=O)C4)C

1 reference

androstenone (English)

InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1

20 November 2016

Commons category

Androstenone

0 references

Identifiers

InChI

1 reference

androstenone (English)

20 November 2016

2 references

androstenone (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

18339-16-7

2 references

Global Substance Registration System

5α-androst-16-en-3-one (English)

20 November 2016

https://commonchemistry.cas.org/detail?cas_rn=18339-16-7

10 April 2021

1 reference

(5alpha)-Androst-16-en-3-one (English)

20 November 2016

2 references

androstenone (English)

20 November 2016

Reaxys registry number

2379783

1 reference

5alpha-androst-16-en-3-one (English)

6 October 2016

ChEBI ID

37894

mapping relation type

2 references

CHEMBL1309552 (English)

20 November 2016

International Chemical Identifier

InChI

InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1

1 reference

CHEMBL1309552 (English)

20 November 2016

2 references

inferred from InChIKey

MSBNK-Fac_Eng_Univ_Tokyo-JP002982

1 reference

MassBank accession ID

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP011414

0 references

SPLASH

splash10-0595-4960000000-ecaf9735022cad805276

0 references

splash10-0a59-3910000000-e796f0ce1476bc432eeb

0 references

DSSTox substance ID

DTXSID0040965

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID8020965

0 references

EC number

242-220-1

1 reference

Global Substance Registration System

5α-androst-16-en-3-one (English)

ECHA Substance Infocard ID

20 November 2016

100.038.367

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.038.367

27 December 2018

AICS Chemical ID (BEING DELETED)

5α-androst-16-en-3-one (English)

quotation

CAS no.: 18339-16-7 (English)

14854

0 references

Human Metabolome Database ID

HMDB0034406

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

5α-androst-16-en-3-one (English)

20 November 2016