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CHEBI:199569 - Malevamide E

ChEBI IDCHEBI:199569
ChEBI NameMalevamide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H94N8O11
Net Charge0
Average Mass1103.457
Monoisotopic Mass1102.70421
SMILESCNC(=O)C[C@H]1C(=O)N(C)[C@H](C)C(=O)OC(C)CCCC=CCCC(OC)CC=CC=C(C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N1C
InChIInChI=1S/C60H94N8O11/c1-38(2)50-57(74)65(13)47(36-44-30-22-20-23-31-44)56(73)66(14)51(39(3)4)58(75)67(15)52(40(5)6)59(76)68-35-27-34-46(68)54(71)64(12)48(37-49(69)61-10)55(72)63(11)43(9)60(77)79-42(8)29-21-18-17-19-24-32-45(78-16)33-26-25-28-41(7)53(70)62-50/h17,19-20,22-23,25-26,28,30-31,38-40,42-43,45-48,50-52H,18,21,24,27,29,32-37H2,1-16H3,(H,61,69)(H,62,70)/t42?,43-,45?,46+,47+,48+,50-,51+,52+/m1/s1
InChIKeyJCNPRLFFSUMABB-OFOGQRPBSA-N
Species of MetaboliteComponentSourceComments
Symploca (ncbitaxon:105591) - PubMed (18361518)
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 E (CHEBI:199569) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[(3S,6S,9S,12R,31R,34S,37S)-9-benzyl-20-methoxy-4,7,10,15,28,31,32,35-octamethyl-2,5,8,11,14,30,33,36-octaoxo-3,6,12-tri(propan-2-yl)-29-oxa-1,4,7,10,13,32,35-heptazabicyclo[35.3.0]tetraconta-15,17,23-trien-34-yl]-N-methylacetamide