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CHEBI:202595 - Oscillacyclin

ChEBI IDCHEBI:202595
ChEBI NameOscillacyclin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H66N10O14
Net Charge0
Average Mass995.101
Monoisotopic Mass994.47600
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C47H66N10O14/c1-6-23(2)36-44(68)49-24(3)39(63)50-30(20-28-14-16-29(61)17-15-28)40(64)52-32(21-35(48)62)47(71)57-18-10-13-34(57)43(67)51-31(19-27-11-8-7-9-12-27)41(65)55-38(26(5)60)46(70)56-37(25(4)59)45(69)53-33(22-58)42(66)54-36/h7-9,11-12,14-17,23-26,30-34,36-38,58-61H,6,10,13,18-22H2,1-5H3,(H2,48,62)(H,49,68)(H,50,63)(H,51,67)(H,52,64)(H,53,69)(H,54,66)(H,55,65)(H,56,70)/t23-,24-,25+,26+,30-,31-,32-,33-,34-,36-,37-,38-/m0/s1
InChIKeyBQQARIDWNCTETM-WVNVVFAISA-N
Species of MetaboliteComponentSourceComments
Planktothrix agardhii (ncbitaxon:1160) - DOI (10.1016/s0040-4020(99)01017-0)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Oscillacyclin (CHEBI:202595) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[(3S,6S,9S,12S,15S,18S,21S,24S,27S)-24-benzyl-12-[(2S)-butan-2-yl]-18,21-bis[(1R)-1-hydroxyethyl]-15-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-9-methyl-2,5,8,11,14,17,20,23,26-nonaoxo-1,4,7,10,13,16,19,22,25-nonazabicyclo[25.3.0]triacontan-3-yl]acetamide
Manual XrefsDatabases
78440896ChemSpider