EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:197933 - Divercin V41

ChEBI IDCHEBI:197933
ChEBI NameDivercin V41
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H79N13O15S2
Net Charge0
Average Mass1226.447
Monoisotopic Mass1225.52600
SMILESCNC(=O)C(CSSC)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)CNC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(N)[C@H](C)O)C(C)C
InChIInChI=1S/C55H79N13O15S2/c1-29(2)47(55(83)66-40(24-33-13-19-36(72)20-14-33)53(81)67-42(28-85-84-5)48(76)59-4)68-45(75)27-61-50(78)41(25-43(57)73)62-44(74)26-60-49(77)38(22-31-9-15-34(70)16-10-31)64-52(80)39(23-32-11-17-35(71)18-12-32)65-51(79)37(8-6-7-21-56)63-54(82)46(58)30(3)69/h9-20,29-30,37-42,46-47,69-72H,6-8,21-28,56,58H2,1-5H3,(H2,57,73)(H,59,76)(H,60,77)(H,61,78)(H,62,74)(H,63,82)(H,64,80)(H,65,79)(H,66,83)(H,67,81)(H,68,75)/t30-,37?,38?,39?,40?,41?,42?,46?,47?/m0/s1
InChIKeyUGRHRSSMRJQGMG-XYCYVNRRSA-N
Species of MetaboliteComponentSourceComments
Carnobacterium (ncbitaxon:2747) - PubMed (9802025)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Divercin V41 (CHEBI:197933) is a polypeptide (CHEBI:15841)
IUPAC Name 
2-[[2-[[2-[[2-[[6-amino-2-[[(3S)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-N-[2-[[1-[[3-(4-hydroxyphenyl)-1-[[1-(methylamino)-3-(methyldisulanyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]butanediamide
Manual XrefsDatabases
78445010ChemSpider