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CHEBI:219835 - Streptocidin B/C

ChEBI IDCHEBI:219835
ChEBI NameStreptocidin B/C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC67H91N15O12
Net Charge0
Average Mass1298.558
Monoisotopic Mass1297.69716
SMILESCC(C)CC1NC(=O)C(CCCN)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(Cc2cnc3ccccc23)NC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC1=O
InChIInChI=1S/C67H91N15O12/c1-36(2)28-48-61(88)80-53(30-39-16-8-7-9-17-39)67(94)82-27-15-23-54(82)65(92)79-49(29-37(3)4)60(87)77-50(31-40-34-71-44-20-12-10-18-42(40)44)62(89)78-52(33-56(70)84)63(90)73-47(24-25-55(69)83)59(86)76-51(32-41-35-72-45-21-13-11-19-43(41)45)64(91)81-57(38(5)6)66(93)74-46(22-14-26-68)58(85)75-48/h7-13,16-21,34-38,46-54,57,71-72H,14-15,22-33,68H2,1-6H3,(H2,69,83)(H2,70,84)(H,73,90)(H,74,93)(H,75,85)(H,76,86)(H,77,87)(H,78,89)(H,79,92)(H,80,88)(H,81,91)
InChIKeyAQJHOZTVIQPXMD-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 B/C (CHEBI:219835) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[21-(2-amino-2-oxoethyl)-9-(3-aminopropyl)-3-benzyl-15,24-bis(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