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CHEBI:199362 - Malevamide B

ChEBI IDCHEBI:199362
ChEBI NameMalevamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC76H124N12O14
Net Charge0
Average Mass1429.898
Monoisotopic Mass1428.93600
SMILESCCCC1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)C(C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)C(C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@@H](C(C)C)OC(=O)C1C
InChIInChI=1S/C76H124N12O14/c1-24-32-52-49(16)76(101)102-63(47(13)14)75(100)80(18)50(17)64(89)78-57(42(3)4)70(95)84(22)60(44(7)8)72(97)85(23)62(46(11)12)74(99)88-40-31-37-55(88)68(93)82(20)59(43(5)6)66(91)79-58(48(15)25-2)71(96)86-38-29-36-54(86)69(94)83(21)61(45(9)10)73(98)87-39-30-35-53(87)67(92)81(19)56(65(90)77-52)41-51-33-27-26-28-34-51/h26-28,33-34,42-50,52-63H,24-25,29-32,35-41H2,1-23H3,(H,77,90)(H,78,89)(H,79,91)/t48-,49?,50-,52?,53-,54-,55-,56-,57-,58-,59?,60?,61?,62?,63+/m0/s1
InChIKeyIJCFPNODXKAIPP-DBABXTLQSA-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 B (CHEBI:199362) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(6S,12S,18S,30S,33S,36R,43S,46S)-43-benzyl-12-[(2S)-butan-2-yl]-4,16,25,28,33,34,39,44-octamethyl-3,15,24,27,30,36-hexa(propan-2-yl)-40-propyl-37-oxa-1,4,10,13,16,22,25,28,31,34,41,44-dodecazatetracyclo[44.3.0.06,10.018,22]nonatetracontane-2,5,11,14,17,23,26,29,32,35,38,42,45-tridecone
Manual XrefsDatabases
10235575ChemSpider