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CHEBI:220157 - Gabetaericin B1

ChEBI IDCHEBI:220157
ChEBI NameGabetaericin B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H72N16O13S
Net Charge0
Average Mass1053.215
Monoisotopic Mass1052.51855
SMILESCC(NC(=O)C(CS)NC(=O)C(Cc1cncn1)NC(=O)C(C)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(N)CC(N)=O)C(C)C)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
InChIInChI=1S/C43H72N16O13S/c1-20(2)33(58-37(66)26(8-5-6-12-44)54-41(70)30-9-7-13-59(30)43(72)24(45)15-32(47)62)42(71)52-22(4)35(64)55-27(14-23-16-49-19-50-23)38(67)57-29(18-73)40(69)51-21(3)36(65)56-28(17-60)39(68)53-25(34(48)63)10-11-31(46)61/h16,19-22,24-30,33,60,73H,5-15,17-18,44-45H2,1-4H3,(H2,46,61)(H2,47,62)(H2,48,63)(H,49,50)(H,51,69)(H,52,71)(H,53,68)(H,54,70)(H,55,64)(H,56,65)(H,57,67)(H,58,66)
InChIKeyBXZZTTGMPGJQQI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lactobacillus gasseri (ncbitaxon:1596) - DOI (10.1016/s0378-1097(97)00019-0)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Gabetaericin B1 (CHEBI:220157) is a polypeptide (CHEBI:15841)
IUPAC Name 
2-[[2-[2-[[2-[[2-[2-[[2-[[6-amino-2-[[1-(2,4-diamino-4-oxobutanoyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulanylpropanoyl]amino]propanoylamino]-3-hydroxypropanoyl]amino]pentanediamide
Manual XrefsDatabases
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