CHEBI:67902 - Vaby B

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ChEBI Name Vaby B
ChEBI ID CHEBI:67902
Definition A natural product found in Viola abyssinica.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C116H177N35O39S6
Net Charge 0
Average Mass 2878.24800
Monoisotopic Mass 2876.12672
InChI InChI=1S/C116H177N35O39S6/c1-13-51(6)86-108(183)139-73-48-196-194-46-71-101(176)134-64(35-78(118)159)97(172)148-91(57(12)157)115(190)151-31-17-23-74(151)104(179)127-41-82(163)131-69-44-192-191-43-68(138-107(182)85(50(4)5)143-105(180)75-24-18-29-149(75)113(188)65(32-49(2)3)130-81(162)40-125-93(168)63(34-77(117)158)133-95(170)61(22-16-28-121-116(119)120)132-110(185)88(54(9)154)146-103(73)178)94(169)126-39-80(161)129-62(26-27-84(165)166)96(171)145-90(56(11)156)112(187)140-70(99(174)128-52(7)92(167)124-37-79(160)123-38-83(164)142-87(53(8)153)109(184)141-71)45-193-195-47-72(137-98(173)67(42-152)136-100(69)175)102(177)147-89(55(10)155)111(186)135-66(33-58-36-122-60-21-15-14-20-59(58)60)114(189)150-30-19-25-76(150)106(181)144-86/h14-15,20-21,36,49-57,61-76,85-91,122,152-157H,13,16-19,22-35,37-48H2,1-12H3,(H2,117,158)(H2,118,159)(H,123,160)(H,124,167)(H,125,168)(H,126,169)(H,127,179)(H,128,174)(H,129,161)(H,130,162)(H,131,163)(H,132,185)(H,133,170)(H,134,176)(H,135,186)(H,136,175)(H,137,173)(H,138,182)(H,139,183)(H,140,187)(H,141,184)(H,142,164)(H,143,180)(H,144,181)(H,145,171)(H,146,178)(H,147,177)(H,148,172)(H,165,166)(H4,119,120,121)/t51-,52-,53+,54+,55+,56+,57+,61-,62-,63-,64-,65-,66?,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,85-,86-,87-,88-,89-,90-,91-/m0/s1
InChIKey WQSLLBLOBFLVPN-JHJQPKBWSA-N
SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]4CSSC[C@H](NC(=O)CNC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N4)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@H](C)NC3=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N2)[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 Vaby B (CHEBI:67902) has role metabolite (CHEBI:25212)
Vaby B (CHEBI:67902) 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);