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CHEBI:213616 - Piscicocin V1b

ChEBI IDCHEBI:213616
ChEBI NamePiscicocin V1b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H67N11O14S
Net Charge0
Average Mass1030.172
Monoisotopic Mass1029.45897
SMILESCCC(C)C(NC(=O)C(C)N)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NCC(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C=O)CS)C(C)C
InChIInChI=1S/C46H67N11O14S/c1-6-24(4)39(57-40(65)25(5)47)46(71)55-34(21-59)44(69)53-31(15-26-7-11-29(60)12-8-26)41(66)49-18-36(63)52-33(17-35(48)62)42(67)50-19-37(64)56-38(23(2)3)45(70)54-32(43(68)51-28(20-58)22-72)16-27-9-13-30(61)14-10-27/h7-14,20,23-25,28,31-34,38-39,59-61,72H,6,15-19,21-22,47H2,1-5H3,(H2,48,62)(H,49,66)(H,50,67)(H,51,68)(H,52,63)(H,53,69)(H,54,70)(H,55,71)(H,56,64)(H,57,65)
InChIKeyKLQORMSDCIDQPN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Enterococcus faecium (ncbitaxon:1352) - PubMed (8633865)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Piscicocin V1b (CHEBI:213616) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-N-[2-[[1-[[3-(4-hydroxyphenyl)-1-oxo-1-[(1-oxo-3-sulanylpropan-2-yl)amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]butanediamide
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