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CHEBI:216186 - Cylindrocyclin A

ChEBI IDCHEBI:216186
ChEBI NameCylindrocyclin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H89N9O9
Net Charge0
Average Mass948.305
Monoisotopic Mass947.67833
SMILESCC[C@H](C)[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1C
InChIInChI=1S/C49H89N9O9/c1-20-31(12)40-49(67)57(18)39(25-30(10)11)44(62)51-33(14)42(60)53-35(21-26(2)3)47(65)55(16)37(23-28(6)7)43(61)50-32(13)41(59)54-36(22-27(4)5)48(66)56(17)38(24-29(8)9)45(63)52-34(15)46(64)58(40)19/h26-40H,20-25H2,1-19H3,(H,50,61)(H,51,62)(H,52,63)(H,53,60)(H,54,59)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
InChIKeyHHRMCEGCINMIBN-QMAXXTOWSA-N
Species of MetaboliteComponentSourceComments
Cylindrocarponspecies (ncbitaxon:1756108) - PubMed (17080686)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cylindrocyclin A (CHEBI:216186) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6S,9S,12S,15S,18S,21S,24S,27S)-3-[(2S)-butan-2-yl]-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-1,4,7,10,13,16,19,22,25-nonazacycloheptacosane-2,5,8,11,14,17,20,23,26-nonone
Manual XrefsDatabases
17243447ChemSpider