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CHEBI:216077 - Wewakamide A

ChEBI IDCHEBI:216077
ChEBI NameWewakamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H86N8O10
Net Charge0
Average Mass995.317
Monoisotopic Mass994.64669
SMILESCC[C@H](C)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1C
InChIInChI=1S/C53H86N8O10/c1-17-33(10)43-48(65)57-42(31(6)7)47(64)54-35(12)34(11)45(62)55-38(26-29(2)3)46(63)56-39(28-37-22-19-18-20-23-37)53(70)71-44(32(8)9)52(69)61-25-21-24-40(61)50(67)58(14)36(13)49(66)59(15)41(27-30(4)5)51(68)60(43)16/h18-20,22-23,29-36,38-44H,17,21,24-28H2,1-16H3,(H,54,64)(H,55,62)(H,56,63)(H,57,65)/t33-,34+,35+,36-,38-,39-,40-,41-,42-,43-,44-/m0/s1
InChIKeyQGVOFCJSCWSNCO-POWBWRITSA-N
Species of MetaboliteComponentSourceComments
Lyngbya semiplena (ncbitaxon:207923) - PubMed (21952369)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Wewakamide A (CHEBI:216077) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9S,12R,13R,16S,19S,22S,25S,28S)-6-benzyl-19-[(2S)-butan-2-yl]-12,13,20,23,25,26-hexamethyl-9,22-bis(2-methylpropyl)-3,16-di(propan-2-yl)-4-oxa-1,7,10,14,17,20,23,26-octazabicyclo[26.3.0]hentriacontane-2,5,8,11,15,18,21,24,27-nonone
Manual XrefsDatabases
27025623ChemSpider