CHEBI:206014 - Pretilactam

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 Pretilactam
ChEBI ID CHEBI:206014
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H35NO4
Net Charge 0
Average Mass 437.580
Monoisotopic Mass 437.25661
InChI InChI=1S/C27H35NO4/c1-21-14-8-5-3-4-6-9-16-22(2)28-26(30)19-11-7-10-18-25-27(31)24(29)20-23(32-25)17-13-12-15-21/h3-15,17,19,22-25,27,29,31H,16,18,20H2,1-2H3,(H,28,30)/b4-3?,8-5?,9-6+,10-7?,15-12?,17-13-,19-11+,21-14?/t22-,23+,24-,25-,27+/m1/s1
InChIKey ZSTCCVJYKCWCOU-JFVUHASKSA-N
SMILES O=C1N[C@@H](CC=CC=CC=CC=C(C=CC=C[C@@H]2O[C@H](CC=CC=C1)[C@@H](O)[C@H](O)C2)C)C
Metabolite of Species Details
Actinosynnema (NCBI:txid40566) See: PubMed
ChEBI Ontology
Outgoing Pretilactam (CHEBI:206014) is a oxanes (CHEBI:46942)
IUPAC Name
(1R,5E,9R,11E,21Z,23R,25R,26S)-25,26-dihydroxy-9,18-dimethyl-27-oxa-8-azabicyclo[21.3.1]heptacosa-3,5,11,13,15,17,19,21-octaen-7-one