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CHEBI:199779 - Desmethoxymajusculamide C

ChEBI IDCHEBI:199779
ChEBI NameDesmethoxymajusculamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H78N8O11
Net Charge0
Average Mass955.208
Monoisotopic Mass954.57901
SMILESCC[C@H](C)[C@@H]1OC(=O)[C@@H](C)[C@@H](CC)NC(=O)[C@H](C)NC(=O)C(C)(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)CNC1=O
InChIInChI=1S/C49H78N8O11/c1-16-28(6)39-44(63)50-25-36(58)56(14)38(27(4)5)46(65)55(13)35(24-33-22-20-19-21-23-33)43(62)52-31(9)41(60)49(11,12)48(67)53-32(10)42(61)54-34(18-3)30(8)47(66)68-40(29(7)17-2)45(64)51-26-37(59)57(39)15/h19-23,27-32,34-35,38-40H,16-18,24-26H2,1-15H3,(H,50,63)(H,51,64)(H,52,62)(H,53,67)(H,54,61)/t28-,29-,30-,31-,32-,34+,35-,38-,39-,40-/m0/s1
InChIKeyFBFVXSBCWUNIQI-XPQZGKFDSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (19489598)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Desmethoxymajusculamide C (CHEBI:199779) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S,8S,14S,17S,20S,25S,28R,29S)-17-benzyl-2,8-bis[(2S)-butan-2-yl]-28-ethyl-7,13,16,20,22,22,25,29-octamethyl-14-propan-2-yl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone
Manual XrefsDatabases
24611604ChemSpider