CHEBI:219849 - Streptocidin Q

ChEBI IDCHEBI:219849
ChEBI NameStreptocidin Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC66H92N14O12
Net Charge0
Average Mass1273.548
Monoisotopic Mass1272.70191
SMILESCC(C)CC1NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C(Cc2cnc3ccccc23)NC(=O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC1=O
InChIInChI=1S/C66H92N14O12/c1-37(2)30-47-60(86)78-52(33-41-20-11-8-12-21-41)66(92)80-29-17-25-53(80)64(90)77-48(31-38(3)4)59(85)74-49(32-40-18-9-7-10-19-40)61(87)76-51(35-55(69)82)62(88)71-46(26-27-54(68)81)58(84)75-50(34-42-36-70-44-23-14-13-22-43(42)44)63(89)79-56(39(5)6)65(91)72-45(57(83)73-47)24-15-16-28-67/h7-14,18-23,36-39,45-53,56,70H,15-17,24-35,67H2,1-6H3,(H2,68,81)(H2,69,82)(H,71,88)(H,72,91)(H,73,83)(H,74,85)(H,75,84)(H,76,87)(H,77,90)(H,78,86)(H,79,89)
InChIKeyAVPHRVINWIRIKA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brevibacillusspecies Leaf182 (ncbitaxon:1736290) - PubMed (30038309)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Streptocidin Q (CHEBI:219849) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[9-(4-aminobutyl)-21-(2-amino-2-oxoethyl)-3,24-dibenzyl-15-(1H-indol-3-ylmethyl)-6,27-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanamide