CHEBI:220783 - Enterocin CRL 35

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Enterocin CRL 35
ChEBI ID CHEBI:220783
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C51H78N14O15
Net Charge 0
Average Mass 1127.268
Monoisotopic Mass 1126.57711
InChI InChI=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
InChIKey WPOKJIHVXLKXHN-OHKMYPDRSA-N
SMILES O=C(NC(C(=O)NC(C(=O)N)CC(=O)N)CC(C)C)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(N)CCCCN)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2)CC(=O)N)C(C)C)[C@H](O)C
Metabolite of Species Details
Lactobacillus (NCBI:txid1578) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Manual Xref Database
78445679 ChemSpider
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