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CHEBI:210544 - Albucyclone B

ChEBI IDCHEBI:210544
ChEBI NameAlbucyclone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H85N11O11
Net Charge0
Average Mass1112.384
Monoisotopic Mass1111.64300
SMILESCC[C@@H](C)[C@H]1NC(=O)[C@H](C(C)C)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/C58H85N11O11/c1-13-32(8)46-56(78)62-35(11)50(72)66-45(31(6)7)55(77)69-48(34(10)15-3)57(79)63-39(23-19-20-24-61-51(73)38-29-60-28-37-44(38)43(70)27-40(59-12)49(37)71)52(74)67-47(33(9)14-2)58(80)65-42(26-36-21-17-16-18-22-36)53(75)64-41(25-30(4)5)54(76)68-46/h16-18,21-22,27-35,39,41-42,45-48,59H,13-15,19-20,23-26H2,1-12H3,(H,61,73)(H,62,78)(H,63,79)(H,64,75)(H,65,80)(H,66,72)(H,67,74)(H,68,76)(H,69,77)/t32-,33-,34+,35+,39-,41+,42+,45-,46-,47-,48+/m0/s1
InChIKeyNQOBVPUFNGRKAP-ZCXMVGRJSA-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 B (CHEBI:210544) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
N-[4-[(2S,5S,8R,11R,14S,17R,20S,23R)-8-benzyl-5,14-bis[(2S)-butan-2-yl]-23-[(2R)-butan-2-yl]-17-methyl-11-(2-methylpropyl)-3,6,9,12,15,18,21,24-octaoxo-20-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclotetracos-2-yl]butyl]-7-(methylamino)-5,8-dioxoisoquinoline-4-carboxamide
Manual XrefsDatabases
78440587ChemSpider