EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220874 - 57-Normajusculamide C

ChEBI IDCHEBI:220874
ChEBI Name57-Normajusculamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H78N8O12
Net Charge0
Average Mass971.207
Monoisotopic Mass970.57392
SMILESCCC(C)[C@H]1C(=O)NCC(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@@H](C)C(=O)C(C)(C)C(=O)N[C@@H](C)C(=O)N[C@H](CC)[C@H](C)C(=O)O[C@@H](C(C)C)C(=O)NCC(=O)N1C
InChIInChI=1S/C49H78N8O12/c1-17-28(7)39-44(63)50-24-36(58)56(14)38(26(3)4)46(65)55(13)35(23-32-19-21-33(68-16)22-20-32)43(62)52-30(9)41(60)49(11,12)48(67)53-31(10)42(61)54-34(18-2)29(8)47(66)69-40(27(5)6)45(64)51-25-37(59)57(39)15/h19-22,26-31,34-35,38-40H,17-18,23-25H2,1-16H3,(H,50,63)(H,51,64)(H,52,62)(H,53,67)(H,54,61)/t28?,29-,30-,31-,34+,35-,38-,39-,40-/m0/s1
InChIKeyNDFBQYCGCBEBOD-ZDKALMRWSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - DOI (10.1021/np50060a048)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
57-Normajusculamide C (CHEBI:220874) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S,8S,14S,17S,20S,25S,28R,29S)-8-butan-2-yl-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,25,29-octamethyl-2,14-di(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
78440287ChemSpider