L-homocitrulline zwitterion (Q106345472)

chemical compound

(2S)-2-azaniumyl-6-(carbamoylamino)hexanoate

Language	Label	Description	Also known as
English	L-homocitrulline zwitterion	chemical compound	(2S)-2-azaniumyl-6-(carbamoylamino)hexanoate

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

part of

lysine carbamoyltransferase activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

retrieved

1 February 2021

mass

189.11134134 dalton

1 reference

2 references

inferred from InChIKey

1 reference

inferred from InChIKey

tautomer of

L-homocitrulline

1 reference

stated in

ChEBI release 2021-03-01

chemical formula

C₇H₁₅N₃O₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

N=C(O)NCCCCC(N)C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

NC(=O)NCCCC[C@H](N)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1

1 reference

stated in

ChEBI release 2021-03-01

InChIKey

XIGSAGMEBXLVJJ-YFKPBYRVSA-N

1 reference

stated in

ChEBI release 2021-03-01

CAS Registry Number

1190-49-4

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

65072

1 reference

matched by identifier from

InChIKey

XIGSAGMEBXLVJJ-YFKPBYRVSA-N

6991977

1 reference

matched by identifier from

InChIKey

XIGSAGMEBXLVJJ-YFKPBYRVSA-N

ChEBI ID

58148

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1

17443

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1

SureChEMBL ID

SCHEMBL56915

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XIGSAGMEBXLVJJ-YFKPBYRVSA-N

MassBank accession ID

MSBNK-Osaka_Univ-OUF00047

1 reference

InChIKey

XIGSAGMEBXLVJJ-YFKPBYRVSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-RIKEN_ReSpect-PM000954

1 reference

InChIKey

XIGSAGMEBXLVJJ-YFKPBYRVSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

NMRShiftDB structure ID

20198937

1 reference

matched by identifier from

InChIKey

XIGSAGMEBXLVJJ-YFKPBYRVSA-N

DSSTox substance ID

DTXSID301317386

1 reference

matched by identifier from

InChIKey

XIGSAGMEBXLVJJ-YFKPBYRVSA-N

Human Metabolome Database ID

HMDB0000679

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XIGSAGMEBXLVJJ-YFKPBYRVSA-N

KNApSAcK ID

C00052314

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XIGSAGMEBXLVJJ-YFKPBYRVSA-N

UNII

133T7A0Y5K

1 reference

matched by identifier from

InChIKey

XIGSAGMEBXLVJJ-YFKPBYRVSA-N

Probes And Drugs ID

PD099458

0 references

L-homocitrulline zwitterion (Q106345472)

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L-homocitrulline zwitterion (Q106345472)

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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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