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CHEBI:222956 - Kahalalide O

ChEBI IDCHEBI:222956
ChEBI NameKahalalide O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H68N8O11
Net Charge0
Average Mass933.117
Monoisotopic Mass932.50075
SMILESCC[C@@H](C)[C@H]1NC(=O)C(C(C)O)NC(=O)[C@@H](Cc2cnc3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)CNC(=O)CCCC(C)C)C(C)OC(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C48H68N8O11/c1-9-27(6)40-45(63)54-39(26(4)5)48(66)67-29(8)42(53-38(60)24-50-37(59)16-12-13-25(2)3)47(65)52-35(21-30-17-19-32(58)20-18-30)43(61)51-36(44(62)56-41(28(7)57)46(64)55-40)22-31-23-49-34-15-11-10-14-33(31)34/h10-11,14-15,17-20,23,25-29,35-36,39-42,49,57-58H,9,12-13,16,21-22,24H2,1-8H3,(H,50,59)(H,51,61)(H,52,65)(H,53,60)(H,54,63)(H,55,64)(H,56,62)/t27-,28?,29?,35-,36-,39+,40-,41?,42-/m1/s1
InChIKeyNEXGSZAIWOZENU-FBYNTWQQSA-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 O (CHEBI:222956) is a cyclodepsipeptide (CHEBI:35213)