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CHEBI:67543 - Verrucamide C

ChEBI IDCHEBI:67543
ChEBI NameVerrucamide C
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]1C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@H](C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CO)C(=O)N1C
InChIInChI=1S/C67H112N14O18/c1-22-38(12)53-59(91)70-43(31-82)57(89)73-51(36(8)9)65(97)77(17)44(28-42-26-24-23-25-27-42)58(90)69-30-47(87)72-49(34(4)5)66(98)80(20)54(40(14)84)61(93)75-52(37(10)11)67(99)81(21)55(41(15)85)60(92)74-50(35(6)7)63(95)76(16)39(13)56(88)68-29-46(86)71-48(33(2)3)64(96)78(18)45(32-83)62(94)79(53)19/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
InChIKeyICVVLVATMXICEO-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 C (CHEBI:67543) is a peptide (CHEBI:16670)
Citations