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CHEBI:210626 - Precarriebowmide

ChEBI IDCHEBI:210626
ChEBI NamePrecarriebowmide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC46H68N6O8S
Net Charge0
Average Mass865.151
Monoisotopic Mass864.48193
SMILESCCC[C@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H]1C
InChIInChI=1S/C46H68N6O8S/c1-11-18-34-30(6)46(59)60-39(29(4)5)45(58)52(9)38(27-33-21-16-13-17-22-33)43(56)49-35(23-24-61-10)41(54)50-36(26-32-19-14-12-15-20-32)44(57)51(8)37(25-28(2)3)42(55)47-31(7)40(53)48-34/h12-17,19-22,28-31,34-39H,11,18,23-27H2,1-10H3,(H,47,55)(H,48,53)(H,49,56)(H,50,54)/t30-,31-,34+,35-,36-,37-,38+,39+/m0/s1
InChIKeyKCYRWQKOIZHYNX-ARSHIWEASA-N
Species of MetaboliteComponentSourceComments
Moorena producens (ncbitaxon:1155739) - PubMed (24044577)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Precarriebowmide (CHEBI:210626) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2R,5R,8S,11S,14S,17S,20R,21S)-5,11-dibenzyl-4,13,17,21-tetramethyl-14-(2-methylpropyl)-8-(2-methylsulanylethyl)-2-propan-2-yl-20-propyl-1-oxa-4,7,10,13,16,19-hexazacyclodocosane-3,6,9,12,15,18,22-heptone
Manual XrefsDatabases
30771243ChemSpider