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CHEBI:198065 - Guineamide E

ChEBI IDCHEBI:198065
ChEBI NameGuineamide E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC39H59N5O9
Net Charge0
Average Mass741.927
Monoisotopic Mass741.43128
SMILESCCCC1OC(=O)CNC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](C(C)C)OC(=O)C1(C)C
InChIInChI=1S/C39H59N5O9/c1-11-16-29-39(7,8)38(51)53-32(24(4)5)34(47)41-25(6)35(48)43(10)31(23(2)3)37(50)44-20-15-19-27(44)36(49)42(9)28(21-26-17-13-12-14-18-26)33(46)40-22-30(45)52-29/h12-14,17-18,23-25,27-29,31-32H,11,15-16,19-22H2,1-10H3,(H,40,46)(H,41,47)/t25-,27-,28+,29?,31-,32-/m0/s1
InChIKeyWIFAOXKADBNEPT-SVBROBQKSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (12828459)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Guineamide E (CHEBI:198065) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9S,19R,22S)-19-benzyl-4,6,12,12,20-pentamethyl-3,9-di(propan-2-yl)-13-propyl-10,14-dioxa-1,4,7,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone
Manual XrefsDatabases
9051650ChemSpider