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CHEBI:220918 - Kulokainalide-1

ChEBI IDCHEBI:220918
ChEBI NameKulokainalide-1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H70N6O10
Net Charge0
Average Mass891.120
Monoisotopic Mass890.51534
SMILESC#CCCC[C@@H]1OC(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)[C@H](C)OC(=O)C(C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)C1(C)C
InChIInChI=1S/C48H70N6O10/c1-12-13-15-24-36-48(9,10)47(62)51-38(29(4)5)44(59)52(11)39(30(6)7)46(61)63-31(8)42(57)54-26-19-23-35(54)43(58)53-25-18-22-34(53)40(55)50-37(28(2)3)41(56)49-33(45(60)64-36)27-32-20-16-14-17-21-32/h1,14,16-17,20-21,28-31,33-39H,13,15,18-19,22-27H2,2-11H3,(H,49,56)(H,50,55)(H,51,62)/t31-,33?,34?,35?,36-,37?,38-,39?/m0/s1
InChIKeyVFAWODJDLPZXDS-WWWZPBBYSA-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)
Kulokainalide-1 (CHEBI:220918) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(9S,15S,19S)-22-benzyl-9,13,18,18-tetramethyl-19-pent-4-ynyl-12,15,25-tri(propan-2-yl)-10,20-dioxa-1,7,13,16,23,26-hexazatricyclo[26.3.0.03,7]hentriacontane-2,8,11,14,17,21,24,27-octone
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78445528ChemSpider