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CHEBI:222933 - Kahalalide C

ChEBI IDCHEBI:222933
ChEBI NameKahalalide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H64N8O10
Net Charge0
Average Mass913.086
Monoisotopic Mass912.47454
SMILESCCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)C[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@@H]1C
InChIInChI=1S/C48H64N8O10/c1-5-11-40(60)52-37(25-30-12-8-7-9-13-30)44(62)56-42-29(4)66-47(65)41(28(3)6-2)55-45(63)38(26-32-17-21-35(58)22-18-32)54-43(61)33(14-10-23-51-48(49)50)27-39(59)36(53-46(42)64)24-31-15-19-34(57)20-16-31/h7-9,12-13,15-22,28-29,33,36-38,41-42,57-58H,5-6,10-11,14,23-27H2,1-4H3,(H,52,60)(H,53,64)(H,54,61)(H,55,63)(H,56,62)(H4,49,50,51)/t28-,29+,33+,36+,37+,38+,41-,42-/m0/s1
InChIKeyVGDUYLUZIGEYSH-IOVFYTSPSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Kahalalide C (CHEBI:222933) is a cyclodepsipeptide (CHEBI:35213)