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CHEBI:220783 - Enterocin CRL 35

ChEBI IDCHEBI:220783
ChEBI NameEnterocin CRL 35
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H78N14O15
Net Charge0
Average Mass1127.268
Monoisotopic Mass1126.57711
SMILESCC(C)CC(NC(=O)C(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@@H](C)O)C(=O)NC(CC(N)=O)C(N)=O
InChIInChI=1S/C51H78N14O15/c1-25(2)18-34(48(77)60-33(44(56)73)21-38(54)69)63-51(80)43(27(5)66)65-50(79)42(26(3)4)64-41(72)24-58-47(76)37(22-39(55)70)59-40(71)23-57-46(75)35(19-28-9-13-30(67)14-10-28)62-49(78)36(20-29-11-15-31(68)16-12-29)61-45(74)32(53)8-6-7-17-52/h9-16,25-27,32-37,42-43,66-68H,6-8,17-24,52-53H2,1-5H3,(H2,54,69)(H2,55,70)(H2,56,73)(H,57,75)(H,58,76)(H,59,71)(H,60,77)(H,61,74)(H,62,78)(H,63,80)(H,64,72)(H,65,79)/t27-,32?,33?,34?,35?,36?,37?,42?,43?/m1/s1
InChIKeyWPOKJIHVXLKXHN-OHKMYPDRSA-N
Species of MetaboliteComponentSourceComments
Lactobacillus (ncbitaxon:1578) - DOI (10.1016/s0723-2020(11)80223-7)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Enterocin CRL 35 (CHEBI:220783) is a polypeptide (CHEBI:15841)
IUPAC Name 
2-[[2-[[(3R)-2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]butanediamide
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