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CHEBI:212394 - Tripropeptin E

ChEBI IDCHEBI:212394
ChEBI NameTripropeptin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H87N11O19
Net Charge0
Average Mass1182.337
Monoisotopic Mass1181.61797
SMILESCC(C)CCCCCCCCCCCC1CC(=O)N[C@H]([C@@H](C)O)C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]([C@@H](O)C(=O)O)C(=O)NC(CO)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H](C(O)C(=O)O)C(=O)O1
InChIInChI=1S/C53H87N11O19/c1-28(2)16-11-9-7-5-4-6-8-10-12-17-30-26-36(68)59-37(29(3)66)49(77)63-24-15-20-34(63)48(76)62-23-14-19-33(62)44(72)57-31(18-13-22-56-53(54)55)43(71)60-38(41(69)50(78)79)45(73)58-32(27-65)47(75)64-25-21-35(67)40(64)46(74)61-39(52(82)83-30)42(70)51(80)81/h28-35,37-42,65-67,69-70H,4-27H2,1-3H3,(H,57,72)(H,58,73)(H,59,68)(H,60,71)(H,61,74)(H,78,79)(H,80,81)(H4,54,55,56)/t29-,30?,31+,32?,33+,34-,35+,37-,38-,39+,40+,41-,42?/m1/s1
InChIKeyWMDXQOHHZMAZFS-XIEMWWMPSA-N
Species of MetaboliteComponentSourceComments
Lysobacterspecies BMK333-48F3 (ncbitaxon:2867962) - PubMed (15323129)
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 E (CHEBI:212394) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2R)-2-[(1R,7S,10S,13R,21S,22S,25S,32R)-25-[carboxy(hydroxy)methyl]-10-[3-(diaminomethylideneamino)propyl]-21-hydroxy-32-[(1R)-1-hydroxyethyl]-16-(hydroxymethyl)-28-(12-methyltridecyl)-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
Manual XrefsDatabases
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