EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:210538 - Albucyclone A

ChEBI IDCHEBI:210538
ChEBI NameAlbucyclone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H87N11O11
Net Charge0
Average Mass1126.411
Monoisotopic Mass1125.65865
SMILESCCC(C)C1NC(=O)C(C(C)CC)NC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCNC(=O)c2cncc3c2C(=O)C=C(NC)C3=O)NC1=O
InChIInChI=1S/C59H87N11O11/c1-13-32(7)46-56(78)63-36(11)51(73)67-49(35(10)16-4)59(81)70-48(34(9)15-3)57(79)64-40(24-20-21-25-62-52(74)39-30-61-29-38-45(39)44(71)28-41(60-12)50(38)72)53(75)68-47(33(8)14-2)58(80)66-43(27-37-22-18-17-19-23-37)54(76)65-42(26-31(5)6)55(77)69-46/h17-19,22-23,28-36,40,42-43,46-49,60H,13-16,20-21,24-27H2,1-12H3,(H,62,74)(H,63,78)(H,64,79)(H,65,76)(H,66,80)(H,67,73)(H,68,75)(H,69,77)(H,70,81)/t32-,33-,34?,35?,36+,40-,42+,43+,46-,47-,48?,49?/m0/s1
InChIKeyNNJZDMYXHVORFJ-CSDXOVPGSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies JAMM992 (ncbitaxon:2302910) - PubMed (28590725)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Albucyclone A (CHEBI:210538) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
N-[4-[(2S,5S,8R,11R,14S,17R)-8-benzyl-20,23-di(butan-2-yl)-5,14-bis[(2S)-butan-2-yl]-17-methyl-11-(2-methylpropyl)-3,6,9,12,15,18,21,24-octaoxo-1,4,7,10,13,16,19,22-octazacyclotetracos-2-yl]butyl]-7-(methylamino)-5,8-dioxoisoquinoline-4-carboxamide
Manual XrefsDatabases
78445568ChemSpider