7beta-aminocephalosporanic acid zwitterion (Q106345705)

chemical compound

(6R)-3-(acetoxymethyl)-7-ammonio-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Language	Label	Description	Also known as
English	7beta-aminocephalosporanic acid zwitterion	chemical compound	(6R)-3-(acetoxymethyl)-7-ammonio-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Statements

instance of

type of chemical entity

0 references

1 reference

glutaryl-7-aminocephalosporanic-acid acylase activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

retrieved

1 February 2021

mass

272.046692484 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

7beta-aminocephalosporanic acid

1 reference

based on heuristic

inferred from InChI

tautomer of

7beta-aminocephalosporanic acid

1 reference

stated in

ChEBI release 2021-03-01

chemical formula

C₁₀H₁₂N₂O₅S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)OCC1=C(C(=O)O)N2C(=O)C(N)C2SC1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1

1 reference

stated in

ChEBI release 2021-03-01

InChIKey

HSHGZXNAXBPPDL-HZGVNTEJSA-N

1 reference

stated in

ChEBI release 2021-03-01

CAS Registry Number

957-68-6

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

441328

1 reference

matched by identifier from

InChIKey

HSHGZXNAXBPPDL-HZGVNTEJSA-N

7058093

1 reference

matched by identifier from

InChIKey

HSHGZXNAXBPPDL-HZGVNTEJSA-N

ChEBI ID

58501

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1

2255

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1

SureChEMBL ID

SCHEMBL78638

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HSHGZXNAXBPPDL-HZGVNTEJSA-N

DSSTox substance ID

DTXSID9045342

1 reference

matched by identifier from

InChIKey

HSHGZXNAXBPPDL-HZGVNTEJSA-N

UNII

9XI67897RG

1 reference

matched by identifier from

InChIKey

HSHGZXNAXBPPDL-HZGVNTEJSA-N

Probes And Drugs ID

PD012000

0 references

7beta-aminocephalosporanic acid zwitterion (Q106345705)

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7beta-aminocephalosporanic acid zwitterion (Q106345705)

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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)

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