EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200007 - Malevamide A

ChEBI IDCHEBI:200007
ChEBI NameMalevamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H80N8O10
Net Charge0
Average Mass1001.280
Monoisotopic Mass1000.59974
SMILESCCCCC(C)C(=O)N1CCC[C@H]1C(=O)N(C)C(Cc1ccccc1)C(=O)NCC(=O)N(C)[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N(C)C(Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)OC)[C@@H](C)CC)C(C)C
InChIInChI=1S/C54H80N8O10/c1-11-13-22-37(6)51(68)61-29-20-27-40(61)52(69)59(8)42(31-38-23-16-14-17-24-38)48(65)55-34-45(64)60(9)47(35(3)4)50(67)57-46(36(5)12-2)49(66)56-33-44(63)58(7)43(32-39-25-18-15-19-26-39)53(70)62-30-21-28-41(62)54(71)72-10/h14-19,23-26,35-37,40-43,46-47H,11-13,20-22,27-34H2,1-10H3,(H,55,65)(H,56,66)(H,57,67)/t36-,37?,40-,41+,42?,43?,46-,47+/m0/s1
InChIKeySBBWNCCDZGYIDQ-ZDQPJKKJSA-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 A (CHEBI:200007) is a oligopeptide (CHEBI:25676)
IUPAC Name 
methyl (2R)-1-[2-[methyl-[2-[[(2S,3S)-3-methyl-2-[[(2R)-3-methyl-2-[methyl-[2-[[2-[methyl-[(2S)-1-(2-methylhexanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]butanoyl]amino]pentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
Manual XrefsDatabases
24686864ChemSpider