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CHEBI:204295 - Wewakpeptin B

ChEBI IDCHEBI:204295
ChEBI NameWewakpeptin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H89N7O11
Net Charge0
Average Mass988.322
Monoisotopic Mass987.66201
SMILESCCCCC[C@H]1OC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)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/C52H89N7O11/c1-18-20-21-26-37-52(13,14)51(68)54-39(33(11)19-2)46(63)55(15)34(12)44(61)56(16)40(30(5)6)47(64)57(17)41(31(7)8)50(67)70-42(32(9)10)48(65)59-28-23-25-36(59)45(62)58-27-22-24-35(58)43(60)53-38(29(3)4)49(66)69-37/h29-42H,18-28H2,1-17H3,(H,53,60)(H,54,68)/t33-,34-,35-,36-,37+,38-,39-,40-,41-,42-/m0/s1
InChIKeyBMHUXRHQCDUIBJ-RCNMYSQZSA-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 B (CHEBI:204295) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,9S,12S,15S,18S,21S,25R,28S,31S)-21-[(2S)-butan-2-yl]-13,16,18,19,24,24-hexamethyl-25-pentyl-9,12,15,28-tetra(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
9598105ChemSpider