D-octopine dizwitterion (Q106345480)

chemical compound

(2S)-5-{[amino(iminiumyl)methyl]amino}-2-{[(1R)-1-carboxylatoethyl]azaniumyl}pentanoate

Language	Label	Description	Also known as
English	D-octopine dizwitterion	chemical compound	(2S)-5-{[amino(iminiumyl)methyl]amino}-2-{[(1R)-1-carboxylatoethyl]azaniumyl}pentanoate

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

part of

D-octopine dehydrogenase activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

retrieved

1 February 2021

octopine catabolic process

subject has role

reactant

1 reference

stated in

Gene Ontology release 2022-07-01

octopine metabolic process

subject has role

participant

1 reference

stated in

Gene Ontology release 2022-07-01

mass

246.132805056 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

N2-(1-Carboxyethyl)-L-arginine

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

ChEBI release 2021-03-01

chemical formula

C₉H₁₈N₄O₄

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(NC(CCCNC(=N)N)C(=O)O)C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@@H](N[C@@H](CCCNC(=N)N)C(=O)O)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)/t5-,6+/m1/s1

1 reference

stated in

ChEBI release 2021-03-01

InChIKey

IMXSCCDUAFEIOE-RITPCOANSA-N

1 reference

stated in

ChEBI release 2021-03-01

CAS Registry Number

34522-32-2

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

108172

1 reference

matched by identifier from

InChIKey

IMXSCCDUAFEIOE-RITPCOANSA-N

6992007

1 reference

matched by identifier from

InChIKey

IMXSCCDUAFEIOE-RITPCOANSA-N

ChEBI ID

57520

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)/t5-,6+/m1/s1

15805

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)/t5-,6+/m1/s1

SureChEMBL ID

SCHEMBL25260960

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

IMXSCCDUAFEIOE-RITPCOANSA-N

DSSTox substance ID

DTXSID70946103

1 reference

matched by identifier from

InChIKey

IMXSCCDUAFEIOE-RITPCOANSA-N

D-octopine dizwitterion (Q106345480)

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

D-octopine dizwitterion (Q106345480)

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