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CHEBI:201759 - Carriebowmide

ChEBI IDCHEBI:201759
ChEBI NameCarriebowmide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H68N6O9S
Net Charge0
Average Mass881.150
Monoisotopic Mass880.47685
SMILESCCC[C@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCS(C)=O)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@@H]1C
InChIInChI=1S/C46H68N6O9S/c1-11-18-34-30(6)46(59)61-39(29(4)5)45(58)52(9)38(27-33-21-16-13-17-22-33)43(56)49-35(23-24-62(10)60)41(54)50-36(26-32-19-14-12-15-20-32)44(57)51(8)37(25-28(2)3)42(55)47-31(7)40(53)48-34/h12-17,19-22,28-31,34-39H,11,18,23-27H2,1-10H3,(H,47,55)(H,48,53)(H,49,56)(H,50,54)/t30-,31+,34-,35+,36+,37+,38-,39-,62?/m1/s1
InChIKeyBWWQJPMOEXIEGF-AIOXIWPNSA-N
Species of MetaboliteComponentSourceComments
Lyngbya polychroa (ncbitaxon:207922) - PubMed (19007282)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Carriebowmide (CHEBI:201759) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2R,5R,8S,11S,14S,17S,20R,21R)-5,11-dibenzyl-4,13,17,21-tetramethyl-14-(2-methylpropyl)-8-(2-methylsulinylethyl)-2-propan-2-yl-20-propyl-1-oxa-4,7,10,13,16,19-hexazacyclodocosane-3,6,9,12,15,18,22-heptone
Manual XrefsDatabases
29394133ChemSpider