CI-4 (CHEBI:199939)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	CI-4

ChEBI ID	CHEBI:199939

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H19N5O2

Net Charge

Average Mass

253.306

Monoisotopic Mass

253.15387

InChI

InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/t7-,8-/m0/s1

InChIKey

ZRJHYOXNWCMGMW-YUMQZZPRSA-N

SMILES

O=C1N2[C@H](C(=O)N[C@H]1CCCN=C(N)N)CCC2

Metabolite of Species	Details
Pseudomonas (NCBI:txid286)	See: PubMed

ChEBI Ontology
Outgoing	CI-4 (CHEBI:199939) has functional parent α-amino acid (CHEBI:33704) CI-4 (CHEBI:199939) is a organonitrogen compound (CHEBI:35352) CI-4 (CHEBI:199939) is a organooxygen compound (CHEBI:36963)

IUPAC Name

2-[3-[(3S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]propyl]guanidine