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CHEBI:203299 - Aurilide C

ChEBI IDCHEBI:203299
ChEBI NameAurilide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H73N5O10
Net Charge0
Average Mass820.082
Monoisotopic Mass819.53574
SMILESCC/C=C(\C)[C@H]1OC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)NC(=O)CN(C)C(=O)[C@H]([C@H](C)CC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)OC(=O)/C(C)=C/C[C@H](O)[C@@H]1C
InChIInChI=1S/C43H73N5O10/c1-17-19-27(10)37-29(12)31(49)21-20-28(11)42(55)57-36(25(7)8)38(51)45-34(24(5)6)40(53)48(16)35(26(9)18-2)41(54)46(14)22-32(50)44-33(23(3)4)39(52)47(15)30(13)43(56)58-37/h19-20,23-26,29-31,33-37,49H,17-18,21-22H2,1-16H3,(H,44,50)(H,45,51)/b27-19+,28-20+/t26-,29+,30+,31+,33+,34+,35+,36-,37-/m1/s1
InChIKeyBCIDYWRVGQFMIS-NOZRKBPESA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (16643028)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Aurilide C (CHEBI:203299) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,12S,15S,18R,21E,24S,25S,26S)-12-[(2R)-butan-2-yl]-24-hydroxy-3,4,10,13,21,25-hexamethyl-26-[(E)-pent-2-en-2-yl]-6,15,18-tri(propan-2-yl)-1,19-dioxa-4,7,10,13,16-pentazacyclohexacos-21-ene-2,5,8,11,14,17,20-heptone
Manual XrefsDatabases
9760696ChemSpider