ectoine zwitterion (Q106345647)

chemical compound

(6S)-2-methyl-3,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylate

Language	Label	Description	Also known as
English	ectoine zwitterion	chemical compound	(6S)-2-methyl-3,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylate

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

part of

ectoine synthase activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

retrieved

1 February 2021

ATPase-coupled ectoine transmembrane transporter activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

retrieved

1 February 2021

ectoine biosynthetic process

subject has role

product

1 reference

stated in

Gene Ontology release 2022-07-01

ATPase-coupled ectoine transmembrane transporter activity

subject has role

cargo

1 reference

stated in

Gene Ontology release 2022-07-01

1 reference

Gene Ontology release 2022-07-01

1 reference

Gene Ontology release 2022-07-01

ectoine metabolic process

subject has role

participant

1 reference

stated in

Gene Ontology release 2022-07-01

ectoine catabolic process

subject has role

reactant

1 reference

stated in

Gene Ontology release 2022-07-01

mass

142.07422756 dalton

1 reference

2 references

inferred from InChIKey

1 reference

ChEBI release 2021-03-01

chemical formula

C₆H₁₀N₂O₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=NCCC(C(=O)O)N1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1=NCC[C@@H](C(=O)O)N1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1

1 reference

stated in

ChEBI release 2021-03-01

InChIKey

WQXNXVUDBPYKBA-YFKPBYRVSA-N

1 reference

stated in

ChEBI release 2021-03-01

CAS Registry Number

96702-03-3

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

137208342

1 reference

matched by identifier from

InChIKey

WQXNXVUDBPYKBA-YFKPBYRVSA-N

126041

1 reference

matched by identifier from

InChIKey

WQXNXVUDBPYKBA-YFKPBYRVSA-N

6993223

1 reference

matched by identifier from

InChIKey

WQXNXVUDBPYKBA-YFKPBYRVSA-N

ChEBI ID

58515

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1

27592

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1

SureChEMBL ID

SCHEMBL93532

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WQXNXVUDBPYKBA-YFKPBYRVSA-N

SCHEMBL977252

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WQXNXVUDBPYKBA-YFKPBYRVSA-N

MassBank accession ID

MSBNK-MetaboLights-ML003701

1 reference

InChIKey

WQXNXVUDBPYKBA-YFKPBYRVSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-MetaboLights-ML003751

1 reference

InChIKey

WQXNXVUDBPYKBA-YFKPBYRVSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

matched by identifier from

InChIKey

WQXNXVUDBPYKBA-YFKPBYRVSA-N

Human Metabolome Database ID

HMDB0240650

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WQXNXVUDBPYKBA-YFKPBYRVSA-N

KNApSAcK ID

C00053168

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WQXNXVUDBPYKBA-YFKPBYRVSA-N

UNII

7GXZ3858RY

1 reference

matched by identifier from

InChIKey

WQXNXVUDBPYKBA-YFKPBYRVSA-N

Natural Product Atlas ID

NPA024861

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WQXNXVUDBPYKBA-YFKPBYRVSA-N

Probes And Drugs ID

PD087836

0 references

ectoine zwitterion (Q106345647)

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

ectoine zwitterion (Q106345647)

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