(Q72513646)

English

5-Bromotryptophan

chemical compound

5-Bromo-DL-tryptophan

In more languages

default values for all languages

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Statements

instance of

type of chemical entity

0 references

1 reference

282.000389692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₁H₁₁BrN₂O₂

0 references

canonical SMILES

O=C(O)C(N)CC1=CNC=2C=CC(Br)=CC21

0 references

found in taxon

Aspergillus fumigatus

1 reference

stated in

Substrate promiscuity of the cyclic dipeptide prenyltransferases from Aspergillus fumigatus ( section sign).

Identifiers

InChI

InChI=1S/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)

0 references

InChIKey

KZDNJQUJBMDHJW-UHFFFAOYSA-N

0 references

CAS Registry Number

6548-09-0

1 reference

InChIKey

KZDNJQUJBMDHJW-UHFFFAOYSA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=6548-09-0

2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

KZDNJQUJBMDHJW-UHFFFAOYSA-N

2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

KZDNJQUJBMDHJW-UHFFFAOYSA-N

ChEBI ID

133686

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)

133688

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)

SureChEMBL ID

SCHEMBL307776

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KZDNJQUJBMDHJW-UHFFFAOYSA-N

SCHEMBL19871231

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KZDNJQUJBMDHJW-UHFFFAOYSA-N

NMRShiftDB structure ID

20191873

1 reference

matched by identifier from

InChIKey

KZDNJQUJBMDHJW-UHFFFAOYSA-N

DSSTox substance ID

DTXSID90863904

1 reference

matched by identifier from

InChIKey

KZDNJQUJBMDHJW-UHFFFAOYSA-N

DSSTOX compound identifier

0 references

0 references

229-464-4

0 references

ECHA Substance Infocard ID

100.026.787

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.026.787

retrieved

29 December 2019

title

5-bromo-DL-tryptophan (English)

quotation

CAS no.: 6548-09-0 (English)

(Q72513646)

5-Bromotryptophan

Statements

Identifiers

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