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CHEBI:198688 - Leucocin C-TA33a

ChEBI IDCHEBI:198688
ChEBI NameLeucocin C-TA33a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H70N16O14S
Net Charge0
Average Mass1091.220
Monoisotopic Mass1090.49781
SMILESCC(C)C(NC(=O)CNC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C(N)CCCCN)C(=O)NC(Cc1cncn1)C(=O)NC(CS)C(=O)NC(C(N)=O)[C@@H](C)O
InChIInChI=1S/C45H70N16O14S/c1-21(2)36(45(75)58-28(13-24-16-51-20-54-24)42(72)59-31(19-76)44(74)61-37(22(3)62)38(50)68)60-35(67)18-53-41(71)29(14-32(48)64)55-34(66)17-52-40(70)27(12-23-7-9-25(63)10-8-23)57-43(73)30(15-33(49)65)56-39(69)26(47)6-4-5-11-46/h7-10,16,20-22,26-31,36-37,62-63,76H,4-6,11-15,17-19,46-47H2,1-3H3,(H2,48,64)(H2,49,65)(H2,50,68)(H,51,54)(H,52,70)(H,53,71)(H,55,66)(H,56,69)(H,57,73)(H,58,75)(H,59,72)(H,60,67)(H,61,74)/t22-,26?,27?,28?,29?,30?,31?,36?,37?/m1/s1
InChIKeyXNHDORMSXNDQMQ-NKHNYZCGSA-N
Species of MetaboliteComponentSourceComments
Leuconostoc mesenteroides (ncbitaxon:1245) - PubMed (9611809)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Leucocin C-TA33a (CHEBI:198688) is a polypeptide (CHEBI:15841)
IUPAC Name 
2-[[2-[[2-[[4-amino-2-(2,6-diaminohexanoylamino)-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-N-[2-[[1-[[1-[[1-[[(3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]butanediamide
Manual XrefsDatabases
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