CHEBI:200594 - Lansai B

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 Lansai B
ChEBI ID CHEBI:200594
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H36N4O2
Net Charge 0
Average Mass 496.655
Monoisotopic Mass 496.28383
InChI InChI=1S/C31H36N4O2/c1-8-29(2,3)18-13-14-22-20(15-18)31(5)17-24-26(37)34-23(25(36)35(24)28(31)33(22)7)16-30(4)19-11-9-10-12-21(19)32(6)27(30)34/h8-15,23-24,27-28H,1,16-17H2,2-7H3/t23-,24-,27-,28-,30-,31-/m0/s1
InChIKey NAHMAQLLWPOQSC-FLWKJLKASA-N
SMILES O=C1N2[C@@H]3N(C=4C=CC=CC4[C@]3(C)C[C@H]2C(=O)N5[C@H]1C[C@]6(C=7C=C(C(C=C)(C)C)C=CC7N([C@@H]56)C)C)C
Metabolite of Species Details
Streptomycesspecies SUC1 (NCBI:txid669374) See: DOI
ChEBI Ontology
Outgoing Lansai B (CHEBI:200594) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(1S,4S,12S,14S,17S,25S)-5,12,18,25-tetramethyl-9-(2-methylbut-3-en-2-yl)-3,5,16,18-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-6(11),7,9,19,21,23-hexaene-2,15-dione
Manual Xref Database
30902341 ChemSpider
View more database links