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CHEBI:201307 - Cordyheptapeptide E

ChEBI IDCHEBI:201307
ChEBI NameCordyheptapeptide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H65N7O9
Net Charge0
Average Mass896.099
Monoisotopic Mass895.48438
SMILESCC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](CC(C)C)NC1=O
InChIInChI=1S/C49H65N7O9/c1-8-31(4)43-45(61)51-37(25-30(2)3)46(62)55(7)41(28-34-18-22-36(58)23-19-34)49(65)56-24-12-15-39(56)48(64)53(5)29-42(59)50-38(26-32-13-10-9-11-14-32)47(63)54(6)40(44(60)52-43)27-33-16-20-35(57)21-17-33/h9-11,13-14,16-23,30-31,37-41,43,57-58H,8,12,15,24-29H2,1-7H3,(H,50,59)(H,51,61)(H,52,60)/t31-,37+,38+,39+,40+,41-,43+/m1/s1
InChIKeyRSKSPMHQQIYPNU-CWAWLLILSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (22642609)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cordyheptapeptide E (CHEBI:201307) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3R,6S,9S,12S,15S,21S)-15-benzyl-9-[(2R)-butan-2-yl]-3,12-bis[(4-hydroxyphenyl)methyl]-4,13,19-trimethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
Manual XrefsDatabases
28520746ChemSpider