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CHEBI:204231 - Propionicin T1

ChEBI IDCHEBI:204231
ChEBI NamePropionicin T1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H69N13O14S
Net Charge0
Average Mass1024.169
Monoisotopic Mass1023.48076
SMILESCC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)NCC(=O)NC(CS)C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(=O)NC(CCCN=C(N)N)C(=O)NC(C=O)CO)C(C)O)C(C)O
InChIInChI=1S/C43H69N13O14S/c1-21(2)33(44)42(70)56-14-6-8-30(56)39(67)49-16-31(62)48-17-32(63)51-29(20-71)38(66)55-35(23(4)60)41(69)53-28(15-24-9-11-26(61)12-10-24)37(65)54-34(22(3)59)40(68)52-27(7-5-13-47-43(45)46)36(64)50-25(18-57)19-58/h9-12,18,21-23,25,27-30,33-35,58-61,71H,5-8,13-17,19-20,44H2,1-4H3,(H,48,62)(H,49,67)(H,50,64)(H,51,63)(H,52,68)(H,53,69)(H,54,65)(H,55,66)(H4,45,46,47)
InChIKeyNAVBNQZIHYIONI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Acidipropionibacterium thoenii (ncbitaxon:1751) - PubMed (11010864)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Propionicin T1 (CHEBI:204231) is a oligopeptide (CHEBI:25676)
IUPAC Name 
1-(2-amino-3-methylbutanoyl)-N-[2-[[2-[[1-[[1-[[1-[[1-[[5-(diaminomethylideneamino)-1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
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