CHEBI:67542 - Verrucamide B

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ChEBI Name Verrucamide B ChEBI ID CHEBI:67542 Definition A natural product found in Myrothecium verrucaria. Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C67H112N14O18 Net Charge 0 Average Mass 1401.68920 Monoisotopic Mass 1400.82790 InChI InChI=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 InChIKey JZQBDJISEJPACT-YHCMIVHTSA-N SMILES CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H](C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CO)N(C)C1=O)C(C)C)C(C)C)C(C)C)C(C)C Metabolite of Species Details Myrothecium verrucaria (NCBI:txid5532) Ethylacetate extract of freeze-dried fermented material See: PubMed Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing Verrucamide B (CHEBI:67542) is a peptide (CHEBI:16670) Citation Type Source 21539317 PubMed citation Europe PMC Last Modified 08 October 2014

General Comment 2014-10-17 Suggested Classification: ISA:peptide(CHEBI:16670); ISA:keratan 6'-sulfate(CHEBI:18331); ISA:azamacrocycle(CHEBI:52898); ISA:aralkylamine(CHEBI:18000); ISA:benzenes(CHEBI:22712); ISA:carboxamide(CHEBI:37622); ISA:amino alcohol(CHEBI:22478); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:lactam(CHEBI:24995); ISA:tertiary amine(CHEBI:32876); ISA:carboxylic acid(CHEBI:33575); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);