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CHEBI:227517 - Wewakazole B

ChEBI IDCHEBI:227517
ChEBI NameWewakazole B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H70N12O12
Net Charge0
Average Mass1127.270
Monoisotopic Mass1126.52362
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)c2nc(oc2C)[C@H](C)NC(=O)c2nc(oc2C)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)c2coc1n2
InChIInChI=1S/C58H70N12O12/c1-7-31(2)45-55-64-40(30-80-55)48(72)61-33(4)56(77)70-26-16-23-43(70)58(79)69-25-14-21-41(69)49(73)59-29-44(71)62-38(27-36-17-10-8-11-18-36)54-67-46(35(6)82-54)51(75)60-32(3)53-66-47(34(5)81-53)52(76)63-39(28-37-19-12-9-13-20-37)57(78)68-24-15-22-42(68)50(74)65-45/h8-13,17-20,30-33,38-39,41-43,45H,7,14-16,21-29H2,1-6H3,(H,59,73)(H,60,75)(H,61,72)(H,62,71)(H,63,76)(H,65,74)/t31-,32-,33-,38-,39-,41-,42-,43-,45-/m0/s1
InChIKeyQDAUOBXWEKQKBF-DOWNRXLQSA-N
Species of MetaboliteComponentSourceComments
Moorena producens (ncbitaxon:1155739) - PubMed (26980238)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Wewakazole B (CHEBI:227517) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(4S,11S,17S,20S,27S,33S,39S,45S)-11,45-dibenzyl-20-[(2S)-butan-2-yl]-4,7,27,48-tetramethyl-6,22,47-trioxa-3,10,13,19,26,29,35,41,44,49,50,51-dodecazaheptacyclo[44.2.1.15,8.121,24.013,17.029,33.035,39]henpentaconta-1(48),5(51),7,21(50),23,46(49)-hexaene-2,9,12,18,25,28,34,40,43-nonone
Manual XrefsDatabases
58196766ChemSpider