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CHEBI:219564 - Paenilarvin C

ChEBI IDCHEBI:219564
ChEBI NamePaenilarvin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H77N13O14
Net Charge0
Average Mass1084.243
Monoisotopic Mass1083.57129
SMILESCC(C)CCCCCCCCC[C@H]1CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC[C@@H]2C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
InChIInChI=1S/C50H77N13O14/c1-27(2)11-8-6-4-3-5-7-9-12-29-22-43(70)57-33(23-39(52)66)46(73)59-32(21-28-14-16-30(64)17-15-28)45(72)61-35(25-41(54)68)47(74)58-31(18-19-38(51)65)50(77)63-20-10-13-37(63)49(76)62-36(26-42(55)69)48(75)60-34(24-40(53)67)44(71)56-29/h14-17,27,29,31-37,64H,3-13,18-26H2,1-2H3,(H2,51,65)(H2,52,66)(H2,53,67)(H2,54,68)(H2,55,69)(H,56,71)(H,57,70)(H,58,74)(H,59,73)(H,60,75)(H,61,72)(H,62,76)/t29-,31-,32+,33-,34-,35+,36+,37+/m0/s1
InChIKeyBAZZDDBHNIGLGB-AWNDOMLDSA-N
Species of MetaboliteComponentSourceComments
Paenibacillus larvae (ncbitaxon:1464) - PubMed (25069424)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Paenilarvin C (CHEBI:219564) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[(3S,6R,9R,12S,16S,19S,22R,25R)-6,12,19,22-tetrakis(2-amino-2-oxoethyl)-9-[(4-hydroxyphenyl)methyl]-16-(10-methylundecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide
Manual XrefsDatabases
78442841ChemSpider