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CHEBI:225056 - Tripropeptin D

ChEBI IDCHEBI:225056
ChEBI NameTripropeptin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H85N11O19
Net Charge0
Average Mass1168.310
Monoisotopic Mass1167.60232
SMILESCC(C)CCCCCCCCCCC1CC(=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/C52H85N11O19/c1-27(2)15-10-8-6-4-5-7-9-11-16-29-25-35(67)58-36(28(3)65)48(76)62-23-14-19-33(62)47(75)61-22-13-18-32(61)43(71)56-30(17-12-21-55-52(53)54)42(70)59-37(40(68)49(77)78)44(72)57-31(26-64)46(74)63-24-20-34(66)39(63)45(73)60-38(51(81)82-29)41(69)50(79)80/h27-34,36-41,64-66,68-69H,4-26H2,1-3H3,(H,56,71)(H,57,72)(H,58,67)(H,59,70)(H,60,73)(H,77,78)(H,79,80)(H4,53,54,55)
InChIKeyDETFTHHTKCLOGR-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 D (CHEBI:225056) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[25-[carboxy(hydroxy)methyl]-10-[3-(diaminomethylideneamino)propyl]-21-hydroxy-32-(1-hydroxyethyl)-16-(hydroxymethyl)-28-(11-methyldodecyl)-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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