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CHEBI:226164 - Tripropeptin A

ChEBI IDCHEBI:226164
ChEBI NameTripropeptin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H79N11O19
Net Charge0
Average Mass1126.229
Monoisotopic Mass1125.55537
SMILESCC(C)CCCCCCCC1CC(=O)NC(C(C)O)C(=O)N2CCCC2C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NC(C(O)C(=O)O)C(=O)NC(CO)C(=O)N2CCC(O)C2C(=O)NC(C(O)C(=O)O)C(=O)O1
InChIInChI=1S/C49H79N11O19/c1-24(2)12-7-5-4-6-8-13-26-22-32(64)55-33(25(3)62)45(73)59-20-11-16-30(59)44(72)58-19-10-15-29(58)40(68)53-27(14-9-18-52-49(50)51)39(67)56-34(37(65)46(74)75)41(69)54-28(23-61)43(71)60-21-17-31(63)36(60)42(70)57-35(48(78)79-26)38(66)47(76)77/h24-31,33-38,61-63,65-66H,4-23H2,1-3H3,(H,53,68)(H,54,69)(H,55,64)(H,56,67)(H,57,70)(H,74,75)(H,76,77)(H4,50,51,52)
InChIKeyZJFQULWBEYLWOH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lysobacterspecies (ncbitaxon:72226) - PubMed (11858660)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Tripropeptin A (CHEBI:226164) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[25-[carboxy(hydroxy)methyl]-10-[3-(diaminomethylideneamino)propyl]-21-hydroxy-32-(1-hydroxyethyl)-16-(hydroxymethyl)-28-(8-methylnonyl)-2,8,11,14,17,23,26,30,33-nonaoxo-27-oxa-3,9,12,15,18,24,31,34-octazatetracyclo[32.3.0.03,7.018,22]heptatriacontan-13-yl]-2-hydroxyacetic acid
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