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CHEBI:206985 - Bavaricin A

ChEBI IDCHEBI:206985
ChEBI NameBavaricin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H87N19O15
Net Charge0
Average Mass1314.474
Monoisotopic Mass1313.66290
SMILESCC(NC(=O)C(Cc1cncn1)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(N)CCCCN)C(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C=O)Cc1cncn1
InChIInChI=1S/C60H87N19O15/c1-33(2)52(60(94)78-46(23-38-26-66-32-71-38)58(92)72-34(3)53(87)67-27-49(84)74-43(9-5-7-19-62)57(91)73-39(30-80)22-37-25-65-31-70-37)79-51(86)29-69-56(90)47(24-48(64)83)75-50(85)28-68-55(89)44(20-35-10-14-40(81)15-11-35)77-59(93)45(21-36-12-16-41(82)17-13-36)76-54(88)42(63)8-4-6-18-61/h10-17,25-26,30-34,39,42-47,52,81-82H,4-9,18-24,27-29,61-63H2,1-3H3,(H2,64,83)(H,65,70)(H,66,71)(H,67,87)(H,68,89)(H,69,90)(H,72,92)(H,73,91)(H,74,84)(H,75,85)(H,76,88)(H,77,93)(H,78,94)(H,79,86)
InChIKeyJSYIPFRTTCIBNP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lactobacillus (ncbitaxon:1578) - PubMed (8407671)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Bavaricin A (CHEBI:206985) is a polypeptide (CHEBI:15841)
IUPAC Name 
N-[2-[[1-[[1-[[1-[[2-[[6-amino-1-[[1-(1H-imidazol-5-yl)-3-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]butanediamide
Manual XrefsDatabases
78444373ChemSpider