Neothramycin A (CHEBI:199378)

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	Neothramycin A

ChEBI ID	CHEBI:199378

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H14N2O4

Net Charge

Average Mass

262.265

Monoisotopic Mass

262.09536

InChI

InChI=1S/C13H14N2O4/c1-19-11-4-8-9(5-10(11)16)14-6-7-2-3-12(17)15(7)13(8)18/h4-7,12,16-17H,2-3H2,1H3/t7-,12-/m0/s1

InChIKey

FXMOIYLVKOALHC-MADCSZMMSA-N

SMILES

O=C1N2[C@@H](O)CC[C@H]2C=NC3=C1C=C(OC)C(=C3)O

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

ChEBI Ontology
Outgoing	Neothramycin A (CHEBI:199378) is a pyrrolobenzodiazepine (CHEBI:131437)

IUPAC Name

(6aS,9S)-3,9-dihydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one