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CHEBI:67542 - Verrucamide B

ChEBI IDCHEBI:67542
ChEBI NameVerrucamide B
Stars
DefinitionA natural product found in Myrothecium verrucaria.
Last Modified8 October 2014
DownloadsMolfile
FormulaC67H112N14O18
Net Charge0
Average Mass1401.713
Monoisotopic Mass1400.82790
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(C)C)N(C)C(=O)[C@H](CO)N(C)C1=O
InChIInChI=1S/C67H112N14O18/c1-22-38(12)52-67(99)78(18)45(32-83)62(94)79(19)53(37(10)11)59(91)70-43(31-82)57(89)73-50(35(6)7)64(96)77(17)44(28-42-26-24-23-25-27-42)58(90)69-30-46(86)71-48(33(2)3)65(97)80(20)54(40(14)84)61(93)75-51(36(8)9)66(98)81(21)55(41(15)85)60(92)74-49(34(4)5)63(95)76(16)39(13)56(88)68-29-47(87)72-52/h23-27,33-41,43-45,48-55,82-85H,22,28-32H2,1-21H3,(H,68,88)(H,69,90)(H,70,91)(H,71,86)(H,72,87)(H,73,89)(H,74,92)(H,75,93)/t38-,39+,40+,41+,43-,44+,45-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1
InChIKeyJZQBDJISEJPACT-YHCMIVHTSA-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 B (CHEBI:67542) is a peptide (CHEBI:16670)
Citations