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CHEBI:213877 - Tripropeptin aiC

ChEBI IDCHEBI:213877
ChEBI NameTripropeptin aiC
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H83N11O19
Net Charge0
Average Mass1154.283
Monoisotopic Mass1153.58667
SMILESCCC(C)CCCCCCCC[C@@H]1CC(=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)N[C@@H](CO)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)C(=O)O)C(=O)O1
InChIInChI=1S/C51H83N11O19/c1-4-26(2)14-9-7-5-6-8-10-15-28-24-34(66)57-35(27(3)64)47(75)61-22-13-18-32(61)46(74)60-21-12-17-31(60)42(70)55-29(16-11-20-54-51(52)53)41(69)58-36(39(67)48(76)77)43(71)56-30(25-63)45(73)62-23-19-33(65)38(62)44(72)59-37(50(80)81-28)40(68)49(78)79/h26-33,35-40,63-65,67-68H,4-25H2,1-3H3,(H,55,70)(H,56,71)(H,57,66)(H,58,69)(H,59,72)(H,76,77)(H,78,79)(H4,52,53,54)/t26?,27-,28-,29+,30+,31+,32-,33+,35-,36-,37+,38+,39-,40+/m1/s1
InChIKeyWSVZUQYMNNHNBK-AGAWFILRSA-N
Species of MetaboliteComponentSourceComments
Lysobacterspecies BMK333-48F3 (ncbitaxon:2867962) - PubMed (19160527)
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 aiC (CHEBI:213877) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2R)-2-[(1R,7S,10S,13R,16S,21S,22S,25S,28R,32R)-25-[(S)-carboxy(hydroxy)methyl]-10-[3-(diaminomethylideneamino)propyl]-21-hydroxy-32-[(1R)-1-hydroxyethyl]-16-(hydroxymethyl)-28-(9-methylundecyl)-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
78438573ChemSpider