5-chlorobohemamine C (CHEBI:200441)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	5-chlorobohemamine C

ChEBI ID	CHEBI:200441

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H19ClN2O3

Net Charge

Average Mass

298.770

Monoisotopic Mass

298.10842

InChI

InChI=1S/C14H19ClN2O3/c1-7(2)5-11(19)16-10-6-9(18)14(4)13(20)12(15)8(3)17(10)14/h5-6,8,12-13,20H,1-4H3,(H,16,19)/t8-,12-,13+,14+/m0/s1

InChIKey

XSOZVHIZNODJTJ-VGSLSFOHSA-N

SMILES

Cl[C@@H]1[C@@H](O)[C@]2(C(=O)C=C(N2[C@H]1C)NC(=O)C=C(C)C)C

Metabolite of Species	Details
Streptomyces (NCBI:txid1883)	See: PubMed

ChEBI Ontology
Outgoing	5-chlorobohemamine C (CHEBI:200441) is a pyrrolizines (CHEBI:38522)

IUPAC Name

N-[(5S,6S,7S,8S)-6-chloro-7-hydroxy-5,8-dimethyl-1-oxo-6,7-dihydro-5H-pyrrolizin-3-yl]-3-methylbut-2-enamide