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CHEBI:218658 - Wewakpeptin C

ChEBI IDCHEBI:218658
ChEBI NameWewakpeptin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H81N7O11
Net Charge0
Average Mass1004.280
Monoisotopic Mass1003.59941
SMILESC#CCCC[C@H]1OC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)C1(C)C
InChIInChI=1S/C54H81N7O11/c1-15-17-19-28-41-54(10,11)53(70)56-43(34(7)16-2)50(67)58(13)35(8)46(63)57(12)36(9)47(64)59(14)44(33(5)6)52(69)71-40(31-37-24-20-18-21-25-37)49(66)61-30-23-27-39(61)48(65)60-29-22-26-38(60)45(62)55-42(32(3)4)51(68)72-41/h1,18,20-21,24-25,32-36,38-44H,16-17,19,22-23,26-31H2,2-14H3,(H,55,62)(H,56,70)/t34-,35-,36-,38-,39-,40+,41+,42-,43-,44-/m0/s1
InChIKeyWKZYHHMUTTZYND-WMHQRPKNSA-N
Species of MetaboliteComponentSourceComments
Lyngbya semiplena (ncbitaxon:207923) - PubMed (15822975)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Wewakpeptin C (CHEBI:218658) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,9R,12S,15S,18S,21S,25R,28S,31S)-9-benzyl-21-[(2S)-butan-2-yl]-13,15,16,18,19,24,24-heptamethyl-25-pent-4-ynyl-12,28-di(propan-2-yl)-10,26-dioxa-1,7,13,16,19,22,29-heptazatricyclo[29.3.0.03,7]tetratriacontane-2,8,11,14,17,20,23,27,30-nonone
Manual XrefsDatabases
9518611ChemSpider