CHEBI:202702 - Cinnabaramide C

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 Cinnabaramide C
ChEBI ID CHEBI:202702
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H29NO3
Net Charge 0
Average Mass 319.445
Monoisotopic Mass 319.21474
InChI InChI=1S/C19H29NO3/c1-3-4-5-9-12-15-16(21)20-19(17(22)23-18(15,19)2)13-14-10-7-6-8-11-14/h7,10,14-15H,3-6,8-9,11-13H2,1-2H3,(H,20,21)/t14-,15+,18+,19+/m1/s1
InChIKey HRIJMKFCVROBTA-PDWMJMLSSA-N
SMILES O=C1N[C@]2(C(=O)O[C@]2([C@H]1CCCCCC)C)C[C@@H]3C=CCCC3
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Cinnabaramide C (CHEBI:202702) has functional parent α-amino acid (CHEBI:33704)
Cinnabaramide C (CHEBI:202702) is a organonitrogen compound (CHEBI:35352)
Cinnabaramide C (CHEBI:202702) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,4R,5S)-1-[[(1R)-cyclohex-2-en-1-yl]methyl]-4-hexyl-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
Manual Xref Database
8148845 ChemSpider
View more database links