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CHEBI:204515 - Malevamide C

ChEBI IDCHEBI:204515
ChEBI NameMalevamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC79H125N13O16
Net Charge0
Average Mass1512.944
Monoisotopic Mass1511.93672
SMILESC#CCCCC1NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)C(COC)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C(C)C)OC(=O)C1C
InChIInChI=1S/C79H125N13O16/c1-23-25-27-35-55-50(12)79(106)108-65(48(9)10)69(96)81-52(14)71(98)90-39-30-36-57(90)73(100)88(20)63(47(7)8)78(105)86(18)61(44-107-22)76(103)85(17)60(43-54-33-28-26-29-34-54)75(102)84(16)53(15)66(93)80-51(13)70(97)87(19)62(46(5)6)67(94)83-56(42-45(3)4)72(99)91-40-32-38-59(91)77(104)92-41-31-37-58(92)74(101)89(21)64(49(11)24-2)68(95)82-55/h1,26,28-29,33-34,45-53,55-65H,24-25,27,30-32,35-44H2,2-22H3,(H,80,93)(H,81,96)(H,82,95)(H,83,94)/t49-,50?,51-,52-,53+,55?,56-,57-,58-,59-,60-,61?,62-,63-,64-,65-/m0/s1
InChIKeyAJYHEKJFCQXDSB-PDLWVTQISA-N
Species of MetaboliteComponentSourceComments
Symploca (ncbitaxon:105591) - PubMed (10785414)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Malevamide C (CHEBI:204515) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(1S,7S,10S,17S,20S,26S,29S,35S,38R,41S,44S,47S)-35-benzyl-10-[(2S)-butan-2-yl]-32-(methoxymethyl)-9,14,20,28,31,34,37,38,41,43-decamethyl-47-(2-methylpropyl)-13-pent-4-ynyl-17,29,44-tri(propan-2-yl)-16-oxa-3,9,12,19,22,28,31,34,37,40,43,46,49-tridecazatetracyclo[47.3.0.03,7.022,26]dopentacontane-2,8,11,15,18,21,27,30,33,36,39,42,45,48-tetradecone
Manual XrefsDatabases
78445515ChemSpider