6-aminopenicillanic acid zwitterion (Q106345604)

chemical compound

6-azaniumyl-2,2-dimethylpenam-3alpha-carboxylate

Language	Label	Description	Also known as
English	6-aminopenicillanic acid zwitterion	chemical compound	6-azaniumyl-2,2-dimethylpenam-3alpha-carboxylate

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

part of

penicillin amidase activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

retrieved

1 February 2021

mass

216.056863244 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

6-aminopenicillanic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

tautomer of

6-aminopenicillanic acid

1 reference

stated in

ChEBI release 2021-03-01

chemical formula

C₈H₁₂N₂O₃S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1(C)SC2C(N)C(=O)N2C1C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1

1 reference

stated in

ChEBI release 2021-03-01

InChIKey

NGHVIOIJCVXTGV-ALEPSDHESA-N

1 reference

stated in

ChEBI release 2021-03-01

CAS Registry Number

551-16-6

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

11082

1 reference

matched by identifier from

InChIKey

NGHVIOIJCVXTGV-ALEPSDHESA-N

7057887

1 reference

matched by identifier from

InChIKey

NGHVIOIJCVXTGV-ALEPSDHESA-N

ChEBI ID

57869

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1

16705

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1

SureChEMBL ID

SCHEMBL66332

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NGHVIOIJCVXTGV-ALEPSDHESA-N

DSSTox substance ID

DTXSID7046097

1 reference

matched by identifier from

InChIKey

NGHVIOIJCVXTGV-ALEPSDHESA-N

Human Metabolome Database ID

HMDB0060618

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NGHVIOIJCVXTGV-ALEPSDHESA-N

UNII

QR0C4R7XVN

1 reference

matched by identifier from

InChIKey

NGHVIOIJCVXTGV-ALEPSDHESA-N

Natural Product Atlas ID

NPA016008

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NGHVIOIJCVXTGV-ALEPSDHESA-N

Probes And Drugs ID

PD014430

0 references

6-aminopenicillanic acid zwitterion (Q106345604)

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6-aminopenicillanic acid zwitterion (Q106345604)

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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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