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CHEBI:67541 - Verrucamide A

ChEBI IDCHEBI:67541
ChEBI NameVerrucamide A
Stars
DefinitionA natural product found in Myrothecium verrucaria.
Last Modified8 October 2014
DownloadsMolfile
FormulaC68H114N14O18
Net Charge0
Average Mass1415.740
Monoisotopic Mass1414.84355
SMILESCC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H](C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](CO)N(C)C1=O
InChIInChI=1S/C68H114N14O18/c1-22-38(11)53-68(100)79(18)46(33-84)63(95)80(19)54(39(12)23-2)60(92)71-44(32-83)58(90)74-51(36(7)8)65(97)78(17)45(29-43-27-25-24-26-28-43)59(91)70-31-47(87)72-49(34(3)4)66(98)81(20)55(41(14)85)62(94)76-52(37(9)10)67(99)82(21)56(42(15)86)61(93)75-50(35(5)6)64(96)77(16)40(13)57(89)69-30-48(88)73-53/h24-28,34-42,44-46,49-56,83-86H,22-23,29-33H2,1-21H3,(H,69,89)(H,70,91)(H,71,92)(H,72,87)(H,73,88)(H,74,90)(H,75,93)(H,76,94)/t38-,39-,40+,41+,42+,44-,45+,46-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1
InChIKeyBUPUBRBSFXCQCS-QJTAIPIESA-N
Species of MetaboliteComponentSourceComments
Myrothecium verrucaria (ncbitaxon:5532) - PubMed (21539317) Ethylacetate extract of freeze-dried fermented material
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Verrucamide A (CHEBI:67541) is a peptide (CHEBI:16670)
Citations