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CHEBI:67544 - Verrucamide D

ChEBI IDCHEBI:67544
ChEBI NameVerrucamide D
Stars
DefinitionA natural product found in Myrothecium verrucaria.
Last Modified8 October 2014
DownloadsMolfile
FormulaC66H110N14O18
Net Charge0
Average Mass1387.686
Monoisotopic Mass1386.81225
SMILESCC(C)[C@@H]1NC(=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)C(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H](C)N(C)C1=O
InChIInChI=1S/C66H110N14O18/c1-32(2)47-63(95)77(18)44(31-82)61(93)78(19)52(37(11)12)58(90)69-42(30-81)56(88)72-50(35(7)8)64(96)76(17)43(27-41-25-23-22-24-26-41)57(89)68-29-46(86)71-48(33(3)4)65(97)79(20)53(39(14)83)60(92)74-51(36(9)10)66(98)80(21)54(40(15)84)59(91)73-49(34(5)6)62(94)75(16)38(13)55(87)67-28-45(85)70-47/h22-26,32-40,42-44,47-54,81-84H,27-31H2,1-21H3,(H,67,87)(H,68,89)(H,69,90)(H,70,85)(H,71,86)(H,72,88)(H,73,91)(H,74,92)/t38-,39-,40-,42+,43-,44+,47+,48+,49+,50+,51+,52+,53+,54+/m1/s1
InChIKeyHRWLTBUENCFLGG-RBQVGXDUSA-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 D (CHEBI:67544) is a peptide (CHEBI:16670)
Synonym  Source
Cyclo(N-methyl-D-alanylglycyl-L-valyl-N-methyl-L-seryl-N-methyl-L-valyl-L-seryl-L-valyl-N-methyl-D-phenylalanylglycyl-L-valyl-N-methyl-L-threonyl-L-valyl-N-methyl-L-threonyl-L-valyl)ChEBI
Citations