anticapsin zwitterion (Q106345594)

chemical compound

(2S)-2-azaniumyl-3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]propanoate

Language	Label	Description	Also known as
English	anticapsin zwitterion	chemical compound	(2S)-2-azaniumyl-3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]propanoate

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

part of

L-amino-acid alpha-ligase activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

retrieved

1 February 2021

mass

199.084457896 dalton

1 reference

1 reference

1 reference

1 reference

ChEBI release 2021-03-01

chemical formula

C₉H₁₃NO₄

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

NC(CC1CCC(=O)C2OC12)C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

N[C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C9H13NO4/c10-5(9(12)13)3-4-1-2-6(11)8-7(4)14-8/h4-5,7-8H,1-3,10H2,(H,12,13)/t4-,5-,7+,8-/m0/s1

1 reference

stated in

ChEBI release 2021-03-01

InChIKey

KHVZXXWDPSCGEK-MGVQOFIGSA-N

1 reference

stated in

ChEBI release 2021-03-01

CAS Registry Number

28978-07-6

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

86583456

1 reference

matched by identifier from

InChIKey

KHVZXXWDPSCGEK-MGVQOFIGSA-N

11769495

1 reference

matched by identifier from

InChIKey

KHVZXXWDPSCGEK-MGVQOFIGSA-N

ChEBI ID

84310

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C9H13NO4/c10-5(9(12)13)3-4-1-2-6(11)8-7(4)14-8/h4-5,7-8H,1-3,10H2,(H,12,13)/t4-,5-,7+,8-/m0/s1

85005

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C9H13NO4/c10-5(9(12)13)3-4-1-2-6(11)8-7(4)14-8/h4-5,7-8H,1-3,10H2,(H,12,13)/t4-,5-,7+,8-/m0/s1

DSSTox substance ID

DTXSID801318391

1 reference

matched by identifier from

InChIKey

KHVZXXWDPSCGEK-MGVQOFIGSA-N

UNII

75PQ0DZ8R2

1 reference

matched by identifier from

InChIKey

KHVZXXWDPSCGEK-MGVQOFIGSA-N

Natural Product Atlas ID

NPA021213

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KHVZXXWDPSCGEK-MGVQOFIGSA-N

anticapsin zwitterion (Q106345594)

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Navigation menu

anticapsin zwitterion (Q106345594)

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Navigation menu

Search