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CHEBI:226986 - Tripropeptin B

ChEBI IDCHEBI:226986
ChEBI NameTripropeptin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H81N11O19
Net Charge0
Average Mass1140.256
Monoisotopic Mass1139.57102
SMILESCC(C)CCCCCCCCC1CC(=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/C50H81N11O19/c1-25(2)13-8-6-4-5-7-9-14-27-23-33(65)56-34(26(3)63)46(74)60-21-12-17-31(60)45(73)59-20-11-16-30(59)41(69)54-28(15-10-19-53-50(51)52)40(68)57-35(38(66)47(75)76)42(70)55-29(24-62)44(72)61-22-18-32(64)37(61)43(71)58-36(49(79)80-27)39(67)48(77)78/h25-32,34-39,62-64,66-67H,4-24H2,1-3H3,(H,54,69)(H,55,70)(H,56,65)(H,57,68)(H,58,71)(H,75,76)(H,77,78)(H4,51,52,53)
InChIKeyHDRXFYLSJDHVBY-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 B (CHEBI:226986) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[25-[carboxy(hydroxy)methyl]-10-[3-(diaminomethylideneamino)propyl]-21-hydroxy-32-(1-hydroxyethyl)-16-(hydroxymethyl)-28-(9-methyldecyl)-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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