CHEBI:67906 - Varv E

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ChEBI Name Varv E
ChEBI ID CHEBI:67906
Definition A natural product found in Viola abyssinica.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C117H179N35O39S6
Net Charge 0
Average Mass 2892.27400
Monoisotopic Mass 2890.14237
InChI InChI=1S/C117H179N35O39S6/c1-13-53(8)88-110(185)139-69-44-192-193-45-70-100(175)136-68(43-154)99(174)138-71-46-194-196-48-73(142-113(188)91(56(11)157)147-96(171)62(26-27-85(166)167)129-81(162)39-126-94(69)169)103(178)144-86(51(4)5)108(183)128-37-80(161)124-38-84(165)143-89(54(9)155)111(186)141-72(101(176)134-64(35-79(119)160)97(172)149-92(57(12)158)116(191)152-31-17-23-75(152)105(180)127-41-83(164)131-70)47-195-197-49-74(140-109(184)87(52(6)7)145-106(181)76-24-18-30-151(76)115(190)66(135-98(173)67(42-153)137-102(71)177)33-58-36-123-60-21-15-14-20-59(58)60)104(179)148-90(55(10)156)112(187)132-61(22-16-28-122-117(120)121)95(170)133-63(34-78(118)159)93(168)125-40-82(163)130-65(32-50(2)3)114(189)150-29-19-25-77(150)107(182)146-88/h14-15,20-21,36,50-57,61-77,86-92,123,153-158H,13,16-19,22-35,37-49H2,1-12H3,(H2,118,159)(H2,119,160)(H,124,161)(H,125,168)(H,126,169)(H,127,180)(H,128,183)(H,129,162)(H,130,163)(H,131,164)(H,132,187)(H,133,170)(H,134,176)(H,135,173)(H,136,175)(H,137,177)(H,138,174)(H,139,185)(H,140,184)(H,141,186)(H,142,188)(H,143,165)(H,144,178)(H,145,181)(H,146,182)(H,147,171)(H,148,179)(H,149,172)(H,166,167)(H4,120,121,122)/t53-,54+,55+,56+,57+,61-,62-,63-,64-,65-,66?,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,86-,87-,88-,89-,90-,91-,92-/m0/s1
InChIKey VIWCOOBKWHFMOF-BWWDGLDISA-N
SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N4)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC3=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)C(C)C)[C@@H](C)O)[C@@H](C)O
Metabolite of Species Details
Viola abyssinica (IPNI:867549-1) Found in aerial part (BTO:0001658). 60% aqueous MeOH extract of air-dried, powdered aerial parts 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 )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Varv E (CHEBI:67906) has role metabolite (CHEBI:25212)
Varv E (CHEBI:67906) is a polypeptide (CHEBI:15841)
Citation Waiting for Citations Type Source
21434649 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:cyclic peptide(CHEBI:23449); ISA:indoles(CHEBI:24828); ISA:aralkylamine(CHEBI:18000); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:pyrroles(CHEBI:26455); ISA:pyrrolidines(CHEBI:38260); ISA:carboxamide(CHEBI:37622); ISA:amino alcohol(CHEBI:22478); ISA:polyol(CHEBI:26191); ISA:organic disulfide(CHEBI:35489); ISA:tertiary amine(CHEBI:32876); ISA:lactam(CHEBI:24995); ISA:guanidines(CHEBI:24436); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:imine(CHEBI:24783); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);